| SpectraBase Spectrum ID |
HoJyiFzz7E9 |
| Name |
2-Phenylmethylinden-3-one-1-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.078644243 u |
| Formula |
C17H12O3 |
| InChI |
InChI=1S/C17H12O3/c18-16-13-9-5-4-8-12(13)15(17(19)20)14(16)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20) |
| InChIKey |
AZNPFDORQQXSND-UHFFFAOYSA-N |
| SMILES |
C12=C(C=CC=C2)C(=O)C(=C1C(=O)O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955966 |
