SpectraBase Spectrum ID |
F5WleRy3E92 |
Name |
4-(4-Chlorophenyl)-2-methoxy-3-methyl-2,6-diphenyl-2H-pyrane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
388.123007614 u |
Formula |
C25H21ClO2 |
InChI |
InChI=1S/C25H21ClO2/c1-18-23(19-13-15-22(26)16-14-19)17-24(20-9-5-3-6-10-20)28-25(18,27-2)21-11-7-4-8-12-21/h3-17H,1-2H3 |
InChIKey |
AUTDPTYPHJJORI-UHFFFAOYSA-N |
Molecular Weight |
388.894 g/mol |
SMILES |
C1(C(=C(C=C(O1)C=1C=CC=CC1)C=1C=CC(=CC1)Cl)C)(C=1C=CC=CC1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906695 |