| SpectraBase Spectrum ID |
1IVTcQFoed8 |
| Name |
Benzoic acid, 4-cyano-, methyl ester |
| CAS Registry Number |
1129-35-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H7NO2 |
| InChI |
InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H3 |
| InChIKey |
KKZMIDYKRKGJHG-UHFFFAOYSA-N |
| Molecular Weight |
161.160 g/mol |
| SMILES |
C(#N)c1ccc(C(=O)OC)cc1 |
| SPLASH |
splash10-001i-0900000000-e46e66414b81576c5542 |
| Source of Spectrum |
KC-0-2325-3 |
| Synonyms |
4-Cyanobenzoic acid methyl ester
Benzoic acid, p-cyano-, methyl ester
Methyl 4-cyanobenzoate
Methyl p-cyanobenzoate
p-Cyanobenzoic acid methyl ester
EINECS 214-443-4 |
| Wiley ID |
828730 |
