SpectraBase Spectrum ID |
F0tvjsaGFk9 |
Name |
Benzoic acid, fluoroanhydride, 3-chloro-4-trifluoromethyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
225.980855068 u |
Formula |
C8H3ClF4O |
InChI |
InChI=1S/C8H3ClF4O/c9-6-3-4(7(10)14)1-2-5(6)8(11,12)13/h1-3H |
InChIKey |
WOWQBKFFFFXDJO-UHFFFAOYSA-N |
Molecular Weight |
226.558 g/mol |
SMILES |
C1(=CC=C(C=C1Cl)C(F)=O)C(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93522 |