SpectraBase Spectrum ID |
BxgLToBv3wK |
Name |
Benzaldehyde, 4,5-dibenzyloxy-2-chloro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
352.086622104 u |
Formula |
C21H17ClO3 |
InChI |
InChI=1S/C21H17ClO3/c22-19-12-21(25-15-17-9-5-2-6-10-17)20(11-18(19)13-23)24-14-16-7-3-1-4-8-16/h1-13H,14-15H2 |
InChIKey |
ZWMVIIBTVCNNQX-UHFFFAOYSA-N |
Molecular Weight |
352.817 g/mol |
SMILES |
C1(=C(C=O)C=C(C(=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807702 |