| SpectraBase Spectrum ID |
6OEdQryTr2Z |
| Name |
Trigonelline chloride |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
11904 |
| Lot Number |
0489486-6 |
| CAS Registry Number |
6138-41-6 |
| Cell Type |
NMR tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H8ClNO2 |
| IUPAC Name |
3-Carboxy-1-methylpyridinium, monochloride |
| InChI |
InChI=1S/C7H7NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-5H,1H3;1H |
| InChIKey |
TZSYLWAXZMNUJB-UHFFFAOYSA-N |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
1200 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
OC(c1ccc[n+](c1)C)=O.[Cl-] |
| Scans Performed |
1536 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
N-Methyl nicotinic acid betaine |
| Technique |
FT-Raman |
