emrebjk
Hazard to Others
Posts: 108
Registered: 22-1-2005
Location: Zonguldak/TURKEY
Member Is Offline
Mood: No Mood
|
|
H-NMR of benzoyl pyridine
Hi all. I bought benzoylpyridine from merck. But I need it's H-NMR spectrum. if you have a NMR atlas can you send it to me. Also if you send
2-acetylpyridine and 2-pyridinecarboxyaldehyde I will be so happy  THANX
|
|
|
Sauron
International Hazard
Posts: 5351
Registered: 22-12-2006
Location: Barad-Dur, Mordor
Member Is Offline
Mood: metastable
|
|
Don't any of the usual suspects (Aldrich, Fluka) give that away online, cf. on pages of the compounds in question in their online catalog?
How about NIST?
Finally, how about a software NMR emulator? Structure to spectrum? I have seen such things.
Here is FT-NMR of 2-benzoylpyridine from Aldrich web site
3- and 4-benzoylpyridines also available.
[Edited on 15-1-2007 by Sauron]
Attachment: FNMR009399[1].pdf (92kB)
This file has been downloaded 462 times
|
|
|
Sauron
International Hazard
Posts: 5351
Registered: 22-12-2006
Location: Barad-Dur, Mordor
Member Is Offline
Mood: metastable
|
|
Here's FT-NMR of 2-acetylpyridine from same source
[Edited on 15-1-2007 by Sauron]
Attachment: FNMR009196[1].pdf (79kB)
This file has been downloaded 454 times
|
|
|
Sauron
International Hazard
Posts: 5351
Registered: 22-12-2006
Location: Barad-Dur, Mordor
Member Is Offline
Mood: metastable
|
|
and finally 2-pyridinecarboxaldehyde FT-NMR from same Aldrich site:
Don't mention it. I just requested three journal articles and this is my atonement.
My karmic balance is maintained.
(Fat chance!)
[Edited on 15-1-2007 by Sauron]
Attachment: FNMR011307[1].pdf (86kB)
This file has been downloaded 443 times
|
|
|
emrebjk
Hazard to Others
Posts: 108
Registered: 22-1-2005
Location: Zonguldak/TURKEY
Member Is Offline
Mood: No Mood
|
|
thank you too much
|
|
|
Dr.3vil
Hazard to Self
Posts: 59
Registered: 27-7-2006
Location: Secret Underground Bunker
Member Is Offline
Mood: 4He + 8.7 MeV
|
|
Spectral database
http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi
If you need IR, NMR, UV/VIS spectra.... this is the place to go. Just about every basic organic compound can be found here. I used this during organic
1 and 2 along with the lab, this is a very good resource.
enjoy
- 3vil
|
|
|
Sauron
International Hazard
Posts: 5351
Registered: 22-12-2006
Location: Barad-Dur, Mordor
Member Is Offline
Mood: metastable
|
|
One problem with those Aldrich spectra is that the filename is not meaningful, as such just a code number and the name or structure does not appear in
the image anywhere I could see. You might want to edit those in for future use.
|
|
|
unionised
International Hazard
Posts: 5102
Registered: 1-11-2003
Location: UK
Member Is Offline
Mood: No Mood
|
|
Dr.3vil
I'm feeling greedy so I'd like to know if you (or anyone else here) has a similar database of UV/vis spectra?
|
|
|
Dr. Beaker
Hazard to Others
Posts: 132
Registered: 9-9-2005
Location: between the med red and dead
Member Is Offline
Mood: Shaken, not stirred
|
|
if you got chemdraw there's an option there to get proton and carbon NMR to the structure you enter. naturally, it's just a rough aproximation, but is
better then nothing. it will generally give good results for simple organic compounds though,
there are more proffessional apps for this, the NMR guys at my U know them better, and they're really accurate.
|
|
|
emrebjk
Hazard to Others
Posts: 108
Registered: 22-1-2005
Location: Zonguldak/TURKEY
Member Is Offline
Mood: No Mood
|
|
I think ACD labs H-NMR prediction software is better than chem office.
|
|
|
Dr.3vil
Hazard to Self
Posts: 59
Registered: 27-7-2006
Location: Secret Underground Bunker
Member Is Offline
Mood: 4He + 8.7 MeV
|
|
| Quote: | Originally posted by unionised
Dr.3vil
I'm feeling greedy so I'd like to know if you (or anyone else here) has a similar database of UV/vis spectra? |
Sorry, I do not. However, If i come across anything in my searches, I will post. The link I provided does have UV/vis spectra, however it is hit or
miss.
- 3vil
|
|
|
vulture
Forum Gatekeeper
Posts: 3330
Registered: 25-5-2002
Location: France
Member Is Offline
Mood: No Mood
|
|
Chemdraws H-NMR prediction is pretty bad. You need really specialized software if you want to get anything meaningful for more complicated compounds.
One shouldn't accept or resort to the mutilation of science to appease the mentally impaired.
|
|
|
py3rhcl3
Harmless
Posts: 22
Registered: 12-2-2006
Member Is Offline
Mood: No Mood
|
|
| Quote: | Originally posted by unionised
Dr.3vil
I'm feeling greedy so I'd like to know if you (or anyone else here) has a similar database of UV/vis spectra? |
Well here are the ones I know and use
PubSpectra (a bit chaotic, but huge)
USC (only a view substances)
and
fluorophores
Hope you can use some of those...
|
|
|
unionised
International Hazard
Posts: 5102
Registered: 1-11-2003
Location: UK
Member Is Offline
Mood: No Mood
|
|
Thanks
|
|
|
leu
Hazard to Others
Posts: 368
Registered: 13-10-2005
Member Is Offline
Mood: No Mood
|
|
Another URL for spectral data and more chemistry related links:
http://www.chem.uni-potsdam.de/~thomas/modules.php?op=modloa...
Chemistry is our Covalent Bond
|
|
|
HenningBasse
Harmless
Posts: 12
Registered: 22-1-2007
Location: Earth\'s Bottom
Member Is Offline
Mood: XTC
|
|
| Quote: | Originally posted by Dr.3vil
http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi
If you need IR, NMR, UV/VIS spectra.... this is the place to go. Just about every basic organic compound can be found here. I used this during organic
1 and 2 along with the lab, this is a very good resource.
enjoy
- 3vil |
yeah , this is of best sites about IR and NMR...i used to query it in my uni spectroscopy course...and its very reliable
|
|
|
Ozone
International Hazard
Posts: 1269
Registered: 28-7-2005
Location: Good Olde USA
Member Is Offline
Mood: Integrated
|
|
I have most of the olde-skule UV-Vis Atlas in hard copy (the old onion skin paper). If someone really needs it, I could look it up, scan it in and zip
you a .pdf.
Best,
O3
-Anyone who never made a mistake never tried anything new.
--Albert Einstein
|
|
|
![[*]](images/xpblue/default_icon.gif){kind=icon}
