| SpectraBase Spectrum ID |
DBBIfyIwQ1k |
| Name |
2-Benzylidene-3-oxo-4-indanyl benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.109944372 u |
| Formula |
C23H16O3 |
| InChI |
InChI=1S/C23H16O3/c24-22-19(14-16-8-3-1-4-9-16)15-18-12-7-13-20(21(18)22)26-23(25)17-10-5-2-6-11-17/h1-14H,15H2/b19-14+ |
| InChIKey |
AXZGFTJCNMWXSY-XMHGGMMESA-N |
| Molecular Weight |
340.378 g/mol |
| SMILES |
C12=C(C=CC=C2OC(=O)C2=CC=CC=C2)C\C(C1=O)=C/C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968922 |
