| SpectraBase Spectrum ID |
DjiQjfDD6Wl |
| Name |
2H-1-Benzopyran-2-one, 7-(phenylmethoxy)-; 7-benzyloxycoumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.078644243 u |
| Formula |
C16H12O3 |
| InChI |
InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2 |
| InChIKey |
QDLFCBKKECTJSK-UHFFFAOYSA-N |
| Molecular Weight |
252.269 g/mol |
| SMILES |
C1(C=CC=2C=CC(=CC2O1)OCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.84156 |
