SpectraBase Spectrum ID |
Extt4HXlmGi |
Name |
Benzoic acid, 2-[(4-chlorophenyl)methoxy]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
262.039671911 u |
Formula |
C14H11ClO3 |
InChI |
InChI=1S/C14H11ClO3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(16)17/h1-8H,9H2,(H,16,17) |
InChIKey |
UMIRGIHRCRAJPI-UHFFFAOYSA-N |
Molecular Weight |
262.692 g/mol |
SMILES |
OC(C1=C(C=CC=C1)OCC1=CC=C(C=C1)Cl)=O |
Spectrum/Structure Validation Score (Raman) |
0.924605 |