| SpectraBase Spectrum ID |
EXd6pfskKzn |
| Name |
2-Propenoic acid, 3-phenyl-, 1-cyanoethyl ester, [S-(E)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985225 |
![2-Propenoic acid, 3-phenyl-, 1-cyanoethyl ester, [S-(E)]-](/api/spectrum/EXd6pfskKzn/structure.png?h=300&w=458 "2-Propenoic acid, 3-phenyl-, 1-cyanoethyl ester, [S-(E)]-")
