| SpectraBase Spectrum ID |
BJfExwoZ2M9 |
| Name |
3,3-Diphenylacrylic acid, m-tolyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.130679818 u |
| Formula |
C22H18O2 |
| InChI |
InChI=1S/C22H18O2/c1-17-9-8-14-20(15-17)24-22(23)16-21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16H,1H3 |
| InChIKey |
VVQMNWFNGHSRNV-UHFFFAOYSA-N |
| SMILES |
C=1C(=CC=CC1)C(=CC(OC=1C=C(C=CC1)C)=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.982266 |
