| SpectraBase Compound ID | H9RmvSaJR9r |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-9-2-4-10(5-3-9)11(6-7-13)8-12(14)15/h2-5,11H,6,8H2,1H3,(H,14,15)/t11-/m0/s1 |
| InChIKey | FNCCDVGVKDOXHL-NSHDSACASA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LetVpXeZbrQ |
|---|---|
| Name | (3S)-4-Cyano-3-(4-methylphenyl)butanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c1-9-2-4-10(5-3-9)11(6-7-13)8-12(14)15/h2-5,11H,6,8H2,1H3,(H,14,15)/t11-/m0/s1 |
| InChIKey | FNCCDVGVKDOXHL-NSHDSACASA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | OC(C[C@@](c1ccc(cc1)C)(CC#N)[H])=O |
| SPLASH | splash10-00di-0910000000-780a07de2e98f0a77226 |
| Source of Spectrum | QC-12-3371-2 |
| Wiley ID | 1634954 |