| SpectraBase Spectrum ID |
ELXcUM7ypN9 |
| Name |
2-Benzoyl-3-methyl-2-butenoic acid ethyl ester |
| 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)12(10(2)3)13(15)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3 |
| InChIKey |
UGTMAJYTSABYPQ-UHFFFAOYSA-N |
| Molecular Weight |
232.279 g/mol |
| SMILES |
C(C(=O)C1=CC=CC=C1)(C(=O)OCC)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979016 |
