| SpectraBase Spectrum ID |
DcoONsFu3jq |
| Name |
Benzoic acid, 2-cyano-, ethyl ester |
| Alternate Name(s) |
Ethyl 2-cyanobenzoate
2-Cyanobenzoic acid ethyl ester |
| CAS Registry Number |
6525-45-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H9NO2 |
| InChI |
InChI=1S/C10H9NO2/c1-2-13-10(12)9-6-4-3-5-8(9)7-11/h3-6H,2H2,1H3 |
| InChIKey |
RQQAJOJDAZNFPF-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol5026519 |
| Molecular Weight |
175.187 g/mol |
| SMILES |
c1ccc(C(=O)OCC)c(C#N)c1 |
| SPLASH |
splash10-0fai-1900000000-5ac6e5896174e829069f |
| Source of Spectrum |
A1-16-5220/SMS3-2a |
| Wiley ID |
1751391 |
