SpectraBase Spectrum ID |
ATGmg2JXfCB |
Name |
3-[(3-Chlorobenzyl)oxy]benzaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
246.044757292 u |
Formula |
C14H11ClO2 |
InChI |
InChI=1S/C14H11ClO2/c15-13-5-1-4-12(7-13)10-17-14-6-2-3-11(8-14)9-16/h1-9H,10H2 |
InChIKey |
BCUFZCBDHLSTBG-UHFFFAOYSA-N |
Molecular Weight |
246.693 g/mol |
SMILES |
C(C1=CC(=CC=C1)OCC1=CC(=CC=C1)Cl)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940915 |