SpectraBase Spectrum ID |
3gkXz5T8X5b |
Name |
Benzaldehyde, 3-[(4-chlorophenyl)methoxy]- |
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/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-9H,10H2 |
InChIKey |
SBIKVRRNAVDMQC-UHFFFAOYSA-N |
Molecular Weight |
246.693 g/mol |
SMILES |
C1=CC(=CC=C1COC1=CC(=CC=C1)C=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894082 |