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N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-3-(trifluoromethyl)benzamide

View entire compound with spectra: 1 NMR

N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-3-(trifluoromethyl)benzamide
SpectraBase Compound ID B54zPOLQHt8
InChI InChI=1S/C21H20ClF3N2O2/c22-17-8-3-5-14(11-17)13-27-10-2-1-9-18(20(27)29)26-19(28)15-6-4-7-16(12-15)21(23,24)25/h3-8,11-12,18H,1-2,9-10,13H2,(H,26,28)
InChIKey KSBARCPBLFVLTG-UHFFFAOYSA-N
Mol Weight 424.85 g/mol
Molecular Formula C21H20ClF3N2O2
Exact Mass 424.11654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3pFGXBNwjJn
Name N-[1-(3-Chlorobenzyl)-2-oxoazepan-3-yl]-3-(trifluoromethyl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.116540079 u
Formula C21H20ClF3N2O2
InChI InChI=1S/C21H20ClF3N2O2/c22-17-8-3-5-14(11-17)13-27-10-2-1-9-18(20(27)29)26-19(28)15-6-4-7-16(12-15)21(23,24)25/h3-8,11-12,18H,1-2,9-10,13H2,(H,26,28)
InChIKey KSBARCPBLFVLTG-UHFFFAOYSA-N
Molecular Weight 424.851 g/mol
SMILES C(C1=CC(=CC=C1)C(F)(F)F)(=O)NC1C(N(CCCC1)CC1=CC(=CC=C1)Cl)=O