| SpectraBase Spectrum ID |
7DYgECdOCNZ |
| Name |
Benzeneacetic acid, 3-benzoyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.078644243 u |
| Formula |
C15H12O3 |
| InChI |
InChI=1S/C15H12O3/c16-14(17)10-11-5-4-8-13(9-11)15(18)12-6-2-1-3-7-12/h1-9H,10H2,(H,16,17) |
| InChIKey |
ALDSXDRDRWDASQ-UHFFFAOYSA-N |
| Molecular Weight |
240.258 g/mol |
| SMILES |
C(=O)(C1=CC(=CC=C1)CC(O)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974744 |
