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3,4-Dichloro-2'-{[m-(trifluoromethyl)benzyl]thio}benzanilide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

3,4-Dichloro-2'-{[m-(trifluoromethyl)benzyl]thio}benzanilide
SpectraBase Compound ID BVa9sXcYBTf
InChI InChI=1S/C21H14Cl2F3NOS/c22-16-9-8-14(11-17(16)23)20(28)27-18-6-1-2-7-19(18)29-12-13-4-3-5-15(10-13)21(24,25)26/h1-11H,12H2,(H,27,28)
InChIKey KEJBCWJIHXBFIR-UHFFFAOYSA-N
Mol Weight 456.31 g/mol
Molecular Formula C21H14Cl2F3NOS
Exact Mass 455.012525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFTK31au8Q
Name 3,4-Dichloro-2'-{[m-(trifluoromethyl)benzyl]thio}benzanilide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.012525137 u
Formula C21H14Cl2F3NOS
InChI InChI=1S/C21H14Cl2F3NOS/c22-16-9-8-14(11-17(16)23)20(28)27-18-6-1-2-7-19(18)29-12-13-4-3-5-15(10-13)21(24,25)26/h1-11H,12H2,(H,27,28)
InChIKey KEJBCWJIHXBFIR-UHFFFAOYSA-N
Molecular Weight 456.310 g/mol
SMILES C(F)(F)(F)C1=CC(CSC=2C(=CC=CC2)NC(C=2C=C(C(=CC2)Cl)Cl)=O)=CC=C1