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2,4-dichloro-N-[2,2,2-trifluoro-1-{[2-(4-morpholinyl)ethyl]amino}-1-(trifluoromethyl)ethyl]benzamide
SpectraBase Compound ID 85T22aTjcqG
InChI InChI=1S/C16H17Cl2F6N3O2/c17-10-1-2-11(12(18)9-10)13(28)26-14(15(19,20)21,16(22,23)24)25-3-4-27-5-7-29-8-6-27/h1-2,9,25H,3-8H2,(H,26,28)
InChIKey RLQGSMCVVNAEEH-UHFFFAOYSA-N
Mol Weight 468.23 g/mol
Molecular Formula C16H17Cl2F6N3O2
Exact Mass 467.060201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CVQ347SRKox
Name 2,4-Dichloro-N-[2,2,2-trifluoro-1-{[2-(4-morpholinyl)ethyl]amino}-1-(trifluoromethyl)ethyl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.060201175 u
Formula C16H17Cl2F6N3O2
InChI InChI=1S/C16H17Cl2F6N3O2/c17-10-1-2-11(12(18)9-10)13(28)26-14(15(19,20)21,16(22,23)24)25-3-4-27-5-7-29-8-6-27/h1-2,9,25H,3-8H2,(H,26,28)
InChIKey RLQGSMCVVNAEEH-UHFFFAOYSA-N
Molecular Weight 468.227 g/mol
SMILES N(C(C(F)(F)F)(C(F)(F)F)NCCN1CCOCC1)C(C1=C(C=C(C=C1)Cl)Cl)=O