| SpectraBase Spectrum ID |
IfZGYyfOxXP |
| Name |
4H-1-Bebzopyran-4-one, 3-(phenylmethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.083729624 u |
| Formula |
C16H12O2 |
| InChI |
InChI=1S/C16H12O2/c17-16-13(10-12-6-2-1-3-7-12)11-18-15-9-5-4-8-14(15)16/h1-9,11H,10H2 |
| InChIKey |
BFJYQLLNETVOKQ-UHFFFAOYSA-N |
| Molecular Weight |
236.270 g/mol |
| SMILES |
C=1(C(C2=CC=CC=C2OC1)=O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959811 |
