| SpectraBase Spectrum ID |
GooN2HAB2EO |
| Name |
4H-1-Benzopyran-4-one, 2,3-dihydro-3,3-diphenyl-7-(phenylmethoxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.156894565 u |
| Formula |
C28H22O3 |
| InChI |
InChI=1S/C28H22O3/c29-27-25-17-16-24(30-19-21-10-4-1-5-11-21)18-26(25)31-20-28(27,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18H,19-20H2 |
| InChIKey |
QTGFQNDMRFMWJH-UHFFFAOYSA-N |
| Molecular Weight |
406.481 g/mol |
| SMILES |
C1(C(COC=2C1=CC=C(OCC=1C=CC=CC1)C2)(C1=CC=CC=C1)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936465 |
