| SpectraBase Spectrum ID |
AJkq04Zccxz |
| Name |
Benzylnicotinate |
| CAS Registry Number |
94-44-0 |
| Classification |
Rubefacient |
| Copyright |
Copyright © 2023-2024 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 |
| SMILES |
c1(ccccc1)COC(c1cnccc1)=O |
| SPLASH |
splash10-052f-9410000000-81967965f9bc70a71325 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1400 |
