| SpectraBase Spectrum ID |
4YkhZBKHmNg |
| Name |
2-Benzoyl-3-oxo-butyric acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.089208927 u |
| Formula |
C13H14O4 |
| InChI |
InChI=1S/C13H14O4/c1-3-17-13(16)11(9(2)14)12(15)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3 |
| InChIKey |
CMJWTVYVMCEPGG-UHFFFAOYSA-N |
| Molecular Weight |
234.251 g/mol |
| SMILES |
C(C(=O)C1=CC=CC=C1)(C(=O)OCC)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966677 |
