N-[4-(4-Chloro-phenoxy)-3-trifluoromethyl-phenyl]-nicotinamide

SpectraBase Compound ID	3R6Ijf9kQyI
InChI	InChI=1S/C19H12ClF3N2O2/c20-13-3-6-15(7-4-13)27-17-8-5-14(10-16(17)19(21,22)23)25-18(26)12-2-1-9-24-11-12/h1-11H,(H,25,26)
InChIKey	BMCDQNLHHISPQL-UHFFFAOYSA-N Google Search
Mol Weight	392.77 g/mol
Molecular Formula	C19H12ClF3N2O2
Exact Mass	392.05394 g/mol

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SpectraBase Spectrum ID	Iai4XhgRMUb
Name	N-[4-(4-Chloro-phenoxy)-3-trifluoromethyl-phenyl]-nicotinamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	392.053939821 u
Formula	C19H12ClF3N2O2
InChI	InChI=1S/C19H12ClF3N2O2/c20-13-3-6-15(7-4-13)27-17-8-5-14(10-16(17)19(21,22)23)25-18(26)12-2-1-9-24-11-12/h1-11H,(H,25,26)
InChIKey	BMCDQNLHHISPQL-UHFFFAOYSA-N
Molecular Weight	392.765 g/mol
SMILES	C1(C(F)(F)F)=C(OC=2C=CC(=CC2)Cl)C=CC(NC(C2=CN=CC=C2)=O)=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.927761