![2-Propenoic acid, 3-phenyl-, 1-cyanoethyl ester, [S-(E)]-](/api/spectrum/Kxuea3svDTx/structure.png?h=300&w=458 "2-Propenoic acid, 3-phenyl-, 1-cyanoethyl ester, [S-(E)]-")
| SpectraBase Compound ID | KU3EPMy0qCN |
|---|---|
| InChI | InChI=1S/C12H11NO2/c1-10(9-13)15-12(14)8-7-11-5-3-2-4-6-11/h2-8,10H,1H3/b8-7+/t10-/m0/s1 |
| InChIKey | GUYXANWAAZFTGV-JARNTUPDSA-N |
| Mol Weight | 201.22 g/mol |
| Molecular Formula | C12H11NO2 |
| Exact Mass | 201.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Kxuea3svDTx |
|---|---|
| Name | 2-Propenoic acid, 3-phenyl-, 1-cyanoethyl ester, [S-(E)]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.078978596 u |
| Formula | C12H11NO2 |
| InChI | InChI=1S/C12H11NO2/c1-10(9-13)15-12(14)8-7-11-5-3-2-4-6-11/h2-8,10H,1H3/b8-7+/t10-/m0/s1 |
| InChIKey | GUYXANWAAZFTGV-JARNTUPDSA-N |
| Molecular Weight | 201.225 g/mol |
| SMILES | C(#N)[C@@](OC(\C=C\C1=CC=CC=C1)=O)(C)[H] |