| SpectraBase Spectrum ID |
GQbo3hciLYG |
| Name |
Benzoic acid, 2-(cyanomethyl)-, methyl ester |
| Alternate Name(s) |
o-Toluic acid, .alpha.-cyano-, methyl ester
2-(cyanomethyl)benzoic acid methyl ester
Methyl 2-(cyanomethyl)benzoate
Methyl ester of 2-cyanomethylbenzoic acid |
| CAS Registry Number |
5597-04-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H9NO2 |
| InChI |
InChI=1S/C10H9NO2/c1-13-10(12)9-5-3-2-4-8(9)6-7-11/h2-5H,6H2,1H3 |
| InChIKey |
CMADSXVGXNLKHA-UHFFFAOYSA-N |
| Molecular Weight |
175.187 g/mol |
| SMILES |
COC(c1ccccc1CC#N)=O |
| SPLASH |
splash10-00mo-3900000000-c7f22dbfc2fac8b742b4 |
| Source of Spectrum |
H-61-1749-0 |
| Wiley ID |
1171405 |
