| SpectraBase Compound ID | BsF7doDs23V |
|---|---|
| InChI | InChI=1S/C13H15NO2/c1-3-16-12(15)13(2,10-14)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3/t13-/m1/s1 |
| InChIKey | REKQIBZXKNXEAX-CYBMUJFWSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C13H15NO2 |
| Exact Mass | 217.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IqUIFjedctG |
|---|---|
| Name | (2R)-2-Cyano-2-methyl-3-phenyl-propionic acid ethyl ester |
| 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/c1-3-16-12(15)13(2,10-14)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3/t13-/m1/s1 |
| InChIKey | REKQIBZXKNXEAX-CYBMUJFWSA-N |
| Molecular Weight | 217.268 g/mol |
| SMILES | [C@@](C(=O)OCC)(C#N)(CC=1C=CC=CC1)C |