| SpectraBase Spectrum ID |
5VT8YYq02EK |
| Name |
Methyl nicotinate |
| CAS Registry Number |
93-60-7 |
| Classification |
Pharmaceutical drug, topical vasodilator |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
137.047678467 u |
| Formula |
C7H7NO2 |
| InChI |
InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3 |
| InChIKey |
YNBADRVTZLEFNH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
137.138 g/mol |
| Nominal Mass |
137 u |
| Quality |
991 |
| Retention Index |
1109 |
| SMILES |
C=1(C(OC)=O)C=NC=CC1 |
| SPLASH |
splash10-0pdr-6900000000-3378dc75234e3d18f2bd |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Nicometh
Nikomet
Pyridine-3-carboxylic acid methyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003176 |
