SpectraBase Spectrum ID |
AY8kdOhSK8G |
Name |
(4-Chlorophenyl)(3-fluorophenyl)methanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
236.040420804 u |
Formula |
C13H10ClFO |
InChI |
InChI=1S/C13H10ClFO/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8,13,16H |
InChIKey |
YOKJZIUNZKHALC-UHFFFAOYSA-N |
Molecular Weight |
236.673 g/mol |
SMILES |
C1(F)=CC(=CC=C1)C(O)C1=CC=C(C=C1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922144 |