| SpectraBase Spectrum ID |
B0Tow7n0sHI |
| Name |
Ethyl (2E/Z)-2-benzylidene-3-oxobutanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.094294308 u |
| Formula |
C13H14O3 |
| InChI |
InChI=1S/C13H14O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9+ |
| InChIKey |
AYZGINZXVVKWKV-FMIVXFBMSA-N |
| Molecular Weight |
218.252 g/mol |
| SMILES |
C(\C(C(C)=O)=C\C=1C=CC=CC1)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976025 |
