SpectraBase Spectrum ID |
mfYcVzxDzA |
Name |
1-(4-Chlorophenyl)-1-phenyl-difluoro-methane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
238.036084316 u |
Formula |
C13H9ClF2 |
InChI |
InChI=1S/C13H9ClF2/c14-12-8-6-11(7-9-12)13(15,16)10-4-2-1-3-5-10/h1-9H |
InChIKey |
KMSOPMHLUSDYJQ-UHFFFAOYSA-N |
Molecular Weight |
238.665 g/mol |
SMILES |
C1=CC=CC=C1C(F)(F)C1=CC=C(Cl)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894444 |