For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzamide, 3-trifluoromethyl-2-fluoro-N-(3-trifluoromethyl-2-fluorobenzoyl)-N-3-methylbutyl-
SpectraBase Compound ID KCM4RV838BS
InChI InChI=1S/C21H17F8NO2/c1-11(2)9-10-30(18(31)12-5-3-7-14(16(12)22)20(24,25)26)19(32)13-6-4-8-15(17(13)23)21(27,28)29/h3-8,11H,9-10H2,1-2H3
InChIKey NSSDDGLINYWGEZ-UHFFFAOYSA-N
Mol Weight 467.36 g/mol
Molecular Formula C21H17F8NO2
Exact Mass 467.113154 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2HoK8JIG53W
Name Benzamide, 3-trifluoromethyl-2-fluoro-N-(3-trifluoromethyl-2-fluorobenzoyl)-N-3-methylbutyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.113154093 u
Formula C21H17F8NO2
InChI InChI=1S/C21H17F8NO2/c1-11(2)9-10-30(18(31)12-5-3-7-14(16(12)22)20(24,25)26)19(32)13-6-4-8-15(17(13)23)21(27,28)29/h3-8,11H,9-10H2,1-2H3
InChIKey NSSDDGLINYWGEZ-UHFFFAOYSA-N
Molecular Weight 467.359 g/mol
SMILES C(N(CCC(C)C)C(C1=C(C(C(F)(F)F)=CC=C1)F)=O)(=O)C=1C=CC=C(C(F)(F)F)C1F