| SpectraBase Spectrum ID |
L45xbsunOP5 |
| Name |
Benzoic acid, 3-cyano-, 1-methylethyl ester |
| Alternate Name(s) |
Isopropyl 3-cyanobenzoate
Propan-2-yl 3-cyanobenzoate
3-Cyanobenzoic acid propan-2-yl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H11NO2 |
| InChI |
InChI=1S/C11H11NO2/c1-8(2)14-11(13)10-5-3-4-9(6-10)7-12/h3-6,8H,1-2H3 |
| InChIKey |
YMOAZNBHBMMUSB-UHFFFAOYSA-N |
| Molecular Weight |
189.214 g/mol |
| SMILES |
CC(C)OC(=O)c1cccc(C#N)c1 |
| SPLASH |
splash10-001m-9700000000-59667bbbe9057fd64bde |
| Source of Spectrum |
JX-2015-5-162 |
| Wiley ID |
1727016 |
