| SpectraBase Spectrum ID |
LTDljIybc4f |
| Name |
2-cyano-2-methyl-3-(4-methylphenyl)propanoic acid |
| Alternate Name(s) |
2-cyano-2-methyl-3-(p-tolyl)propanoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13NO2 |
| InChI |
InChI=1S/C12H13NO2/c1-9-3-5-10(6-4-9)7-12(2,8-13)11(14)15/h3-6H,7H2,1-2H3,(H,14,15) |
| InChIKey |
SOVQJJCZIDZIFV-UHFFFAOYSA-N |
| Molecular Weight |
203.241 g/mol |
| SMILES |
OC(C(C#N)(Cc1ccc(cc1)C)C)=O |
| SPLASH |
splash10-0a4i-0900000000-fc79d0ae39a15b957b94 |
| Source of Spectrum |
KD-14-2138-3 |
| Wiley ID |
1636148 |
