SpectraBase Compound ID | H9CfeteN0a4 |
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InChI | InChI=1S/C13H15NO2/c1-10-4-6-11(7-5-10)13(2,8-9-14)12(15)16-3/h4-7H,8H2,1-3H3/t13-/m0/s1 |
InChIKey | NIWVMILVTHMFIJ-ZDUSSCGKSA-N |
Mol Weight | 217.27 g/mol |
Molecular Formula | C13H15NO2 |
Exact Mass | 217.110279 g/mol |
SpectraBase Spectrum ID | EQe1GUzgBA |
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Name | (S)-(+)-methyl 3-cyano-2-methyl-2-(4-methylphenyl)propionate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 217.110278725 u |
Formula | C13H15NO2 |
InChI | InChI=1S/C13H15NO2/c1-10-4-6-11(7-5-10)13(2,8-9-14)12(15)16-3/h4-7H,8H2,1-3H3/t13-/m0/s1 |
InChIKey | NIWVMILVTHMFIJ-ZDUSSCGKSA-N |
Molecular Weight | 217.268 g/mol |
SMILES | [C@](C(=O)OC)(C=1C=CC(=CC1)C)(CC#N)C |