| SpectraBase Spectrum ID |
8TPMxDmiRqO |
| Name |
Nicotinate |
| Source of Sample |
SAFC Cat.no. W370908 |
| CAS Registry Number |
93-60-7 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. 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 |
| Molecular Weight |
137.138 g/mol |
| Number of Peaks |
50 |
| RI1 |
1142 |
| RI2 |
829 |
| RI3 |
1160 |
| RI4 |
1120 |
| RI5 |
1110 |
| SMILES |
c1ccc(cn1)C(OC)=O |
| SPLASH |
splash10-0pdi-9600000000-4b0bdcfcb68950474234 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
3-Pyridinecarboxylic acid, methyl ester |
| Wiley ID |
LM_FFNSC3_642 |
