SpectraBase Spectrum ID |
94tW32eLIxZ |
Name |
[2-(4-Methoxyphenyl)-4-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl]-phenylmethanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
420.172544630 u |
Formula |
C29H24O3 |
InChI |
InChI=1S/C29H24O3/c1-31-23-18-16-22(17-19-23)29-27(28(30)21-12-6-3-7-13-21)26(20-10-4-2-5-11-20)24-14-8-9-15-25(24)32-29/h2-19,26-27,29H,1H3 |
InChIKey |
GQKUCRFHHYJAAC-UHFFFAOYSA-N |
Molecular Weight |
420.508 g/mol |
SMILES |
C1(C(OC=2C(C1C1=CC=CC=C1)=CC=CC2)C=1C=CC(=CC1)OC)C(=O)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920122 |