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Benzamide, N-[[[2-bromo-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]amino]carbonyl]-2-chloro-
SpectraBase Compound ID 9QAtH9LUP4T
InChI InChI=1S/C21H12BrCl2F3N2O3/c22-14-10-12(32-18-8-5-11(9-16(18)24)21(25,26)27)6-7-17(14)28-20(31)29-19(30)13-3-1-2-4-15(13)23/h1-10H,(H2,28,29,30,31)
InChIKey WDCZSUYGIIXNBT-UHFFFAOYSA-N
Mol Weight 548.14 g/mol
Molecular Formula C21H12BrCl2F3N2O3
Exact Mass 545.936045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Em1HEb31t1h
Name Benzamide, N-[[[2-bromo-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]amino]carbonyl]-2-chloro-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 545.936045140 u
Formula C21H12BrCl2F3N2O3
InChI InChI=1S/C21H12BrCl2F3N2O3/c22-14-10-12(32-18-8-5-11(9-16(18)24)21(25,26)27)6-7-17(14)28-20(31)29-19(30)13-3-1-2-4-15(13)23/h1-10H,(H2,28,29,30,31)
InChIKey WDCZSUYGIIXNBT-UHFFFAOYSA-N
Molecular Weight 548.143 g/mol
SMILES N(C1=C(C=C(OC2=CC=C(C=C2Cl)C(F)(F)F)C=C1)Br)C(NC(=O)C1=CC=CC=C1Cl)=O