| SpectraBase Spectrum ID |
6vjzWB2p2rj |
| Name |
Ethyl (E)-3-(4-acetylphenyl)but-2-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.109944372 u |
| Formula |
C14H16O3 |
| InChI |
InChI=1S/C14H16O3/c1-4-17-14(16)9-10(2)12-5-7-13(8-6-12)11(3)15/h5-9H,4H2,1-3H3/b10-9+ |
| InChIKey |
IIYCQIVEHIHQMA-MDZDMXLPSA-N |
| Molecular Weight |
232.279 g/mol |
| SMILES |
C(\C=C/(C)C=1C=CC(=CC1)C(=O)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904018 |
