Sciencemadness Discussion Board
Not logged in [Login ]
Go To Bottom

Printable Version  
Author: Subject: NMR reading
morsagh
Hazard to Others
***




Posts: 187
Registered: 20-2-2014
Member Is Offline

Mood: No Mood

sad.gif posted on 1-3-2016 at 06:49
NMR reading


Please, what is the best freeware program (for windows XP) for reading NMR output files. I have this file (in attachment) but i don´t know how to open it to see my spectrum. Or can somebody just open it in correct software and send me screens of my spectrum? Thank you very much

Attachment: fid (256kB)
This file has been downloaded 1288 times

[Edited on 1-3-2016 by morsagh]

[Edited on 1-3-2016 by morsagh]
View user's profile View All Posts By User
Metacelsus
International Hazard
*****




Posts: 2539
Registered: 26-12-2012
Location: Boston, MA
Member Is Offline

Mood: Double, double, toil and trouble

[*] posted on 1-3-2016 at 09:04


ACD labs used to have good NMR freeware, but they recently discontinued it.
When I try opening it in MNova, your file gives an "unknown format of file" error (it might be the file, or it might be that MNova has a problem).




As below, so above.

My blog: https://denovo.substack.com
View user's profile View All Posts By User
UC235
National Hazard
****




Posts: 565
Registered: 28-12-2014
Member Is Offline

Mood: No Mood

[*] posted on 1-3-2016 at 09:28


I think spinworks will open it and it's free. The program is half-broken. It can't output any sort of normal file format so you have to paste the spectra into a word document or similar to save them.
View user's profile View All Posts By User
morsagh
Hazard to Others
***




Posts: 187
Registered: 20-2-2014
Member Is Offline

Mood: No Mood

sad.gif posted on 1-3-2016 at 11:31


Spinworks didn´t work. Can´t somebody open it and make printscreens because i realy don´t know what to do.
View user's profile View All Posts By User
aga
Forum Drunkard
*****




Posts: 7030
Registered: 25-3-2014
Member Is Offline


[*] posted on 1-3-2016 at 12:13


What was the full name of the file, including the extension i.e. fid.fid, fid.raw etc ?
View user's profile View All Posts By User
Nicodem
Super Moderator
*******




Posts: 4230
Registered: 28-12-2004
Member Is Offline

Mood: No Mood

[*] posted on 1-3-2016 at 12:19


You need all the FID data, not just a single file. It should be a folder full of files.
View user's profile View All Posts By User
Metacelsus
International Hazard
*****




Posts: 2539
Registered: 26-12-2012
Location: Boston, MA
Member Is Offline

Mood: Double, double, toil and trouble

[*] posted on 1-3-2016 at 17:50


Yes, Nicodem's right (that's why MNova was giving me the error, now that I think about it). If you can post the folder, I can send you the spectrum (and maybe even try to interpret it).



As below, so above.

My blog: https://denovo.substack.com
View user's profile View All Posts By User
Heavy Walter
Hazard to Others
***




Posts: 127
Registered: 17-12-2015
Location: Argentina
Member Is Offline

Mood: No Mood

[*] posted on 2-3-2016 at 05:50


Sure it is a NMR data and not a FID (GC) data?
View user's profile View All Posts By User
morsagh
Hazard to Others
***




Posts: 187
Registered: 20-2-2014
Member Is Offline

Mood: No Mood

[*] posted on 2-3-2016 at 10:22


Hi again, I have now printscreens of my spectrum. It should be camphor after reduction, so mixture of camphor and very little of borneol or isoborneol. I need to know if there is some borneol or isoborneol and my reduction was successful (it can be very low yield) but spectrum is quite complicated for me. If you help I would be very happy...

aaaa.gif - 15kB aaaaa.gif - 16kB aaaaaa.gif - 11kB
View user's profile View All Posts By User
UC235
National Hazard
****




Posts: 565
Registered: 28-12-2014
Member Is Offline

Mood: No Mood

[*] posted on 2-3-2016 at 11:09


Go to http://sdbs.db.aist.go.jp/ and look up borneol, isoborneol, and camphor. They have NMR spectrums for all (albeit on a low powered machine) and peak assignments. You can probably find better ones elsewhere, but it is conveniently in one place.

You'll note that the peaks at 3.6 and 4 are specific to isoborneol and borneol and are the alpha-proton to the alcohol group. Given the intensity of the peaks, I don't think there is very much of them, but they are present. The significant peak at 2.36 is camphor's exo-proton on the carbon adjacent to the ketone group. In borneol and isoborneol it is more shielded and appears 0.1ppm upfield at 2.26ppm.
View user's profile View All Posts By User
aga
Forum Drunkard
*****




Posts: 7030
Registered: 25-3-2014
Member Is Offline


[*] posted on 2-3-2016 at 11:53


Quote: Originally posted by morsagh  
Hi again, I have now printscreens of my spectrum.

How ? Was that file you uploaded a compressed archive or what ?
View user's profile View All Posts By User
morsagh
Hazard to Others
***




Posts: 187
Registered: 20-2-2014
Member Is Offline

Mood: No Mood

[*] posted on 2-3-2016 at 11:59


So this peaks are isoborneol and borneol you think?

NMR.JPG - 55kB
View user's profile View All Posts By User
morsagh
Hazard to Others
***




Posts: 187
Registered: 20-2-2014
Member Is Offline

Mood: No Mood

[*] posted on 2-3-2016 at 12:23


I just asked Mrs from lab to send me printscreens, so i don´t know where was problem.
View user's profile View All Posts By User
UC235
National Hazard
****




Posts: 565
Registered: 28-12-2014
Member Is Offline

Mood: No Mood

[*] posted on 2-3-2016 at 13:21


I think the 4 peaks on the left are all a quartet of godknowswhatets mixed with baseline noise
View user's profile View All Posts By User
aga
Forum Drunkard
*****




Posts: 7030
Registered: 25-3-2014
Member Is Offline


[*] posted on 2-3-2016 at 13:29


Quote: Originally posted by morsagh  
I just asked Mrs from lab to send me printscreens, so i don´t know where was problem.

Please ask Mrs to tell you what the problem was, then post the solution here.

The next person asking the same as you did might get a faster solution to the same problem.
View user's profile View All Posts By User
morsagh
Hazard to Others
***




Posts: 187
Registered: 20-2-2014
Member Is Offline

Mood: No Mood

[*] posted on 2-3-2016 at 14:55


I'll ask aga. So you UC235 think that borneol is in my sample? Did i marked correct peaks? I want to compare integrals to know yield, so it will be good to know which are hydrogen on alpha to alcohol.
View user's profile View All Posts By User

  Go To Top