| SpectraBase Spectrum ID |
8JdBAiXDYYK |
| Name |
Benzylnicotinate |
| CAS Registry Number |
94-44-0 |
| Classification |
Topical vasodilator |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
213.078978596 u |
| Formula |
C13H11NO2 |
| InChI |
InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2 |
| InChIKey |
KVYGGMBOZFWZBQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
213.236 g/mol |
| Nominal Mass |
213 u |
| Quality |
945 |
| Retention Index |
1824 |
| SMILES |
C1(C(OCC=2C=CC=CC2)=O)=CC=CN=C1 |
| SPLASH |
splash10-08fu-9440000000-3f3697fc9c06612a2dbc |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzyl nicotinate
Benzylis nicotinas
Benzylium nicotinicum,\rNicotinsaeurebenzylester,Pyridin-3-carbonsaeurebenzylester
benzyl pyridine-3-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011813 |
