| SpectraBase Spectrum ID |
LOL3ILWi15l |
| Name |
2-Methylpropyl 4-cyanobenzoate |
| Alternate Name(s) |
4-cyanobenzoic acid 2-methylpropyl ester
4-cyanobenzoic acid isobutyl ester
Isobutyl 4-cyano-benzoate |
| CAS Registry Number |
29240-35-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13NO2 |
| InChI |
InChI=1S/C12H13NO2/c1-9(2)8-15-12(14)11-5-3-10(7-13)4-6-11/h3-6,9H,8H2,1-2H3 |
| InChIKey |
RYFXHNFLVQQUPO-UHFFFAOYSA-N |
| Molecular Weight |
203.241 g/mol |
| SMILES |
CC(C)COC(c1ccc(cc1)C#N)=O |
| SPLASH |
splash10-0a59-9500000000-3cac7105bc0fcafee262 |
| Source of Spectrum |
NP-4-2592-0 |
| Wiley ID |
1103790 |
