| SpectraBase Spectrum ID |
Dpkk7LQGOir |
| Name |
Benzoic acid, 3-(cyanomethyl)-, ethyl ester |
| Alternate Name(s) |
3-(Cyanomethyl)benzoate
Ethyl 3-(cyanomethyl)benzoate |
| CAS Registry Number |
13288-86-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H11NO2 |
| InChI |
InChI=1S/C11H11NO2/c1-2-14-11(13)10-5-3-4-9(8-10)6-7-12/h3-5,8H,2,6H2,1H3 |
| InChIKey |
QGWJUDWWDUECLY-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol200194y |
| Molecular Weight |
189.214 g/mol |
| SMILES |
c1cc(CC#N)cc(C(=O)OCC)c1 |
| SPLASH |
splash10-000f-1900000000-f742fcea0e8ff483e68f |
| Source of Spectrum |
A1-13-1690/SMS6-2a |
| Wiley ID |
1752932 |
