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2-[(2,6-Difluorobenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thiophene-3-carboxamide

View entire compound with spectra: 2 NMR

2-[(2,6-Difluorobenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thiophene-3-carboxamide
SpectraBase Compound ID 5QTWHN4tCcf
InChI InChI=1S/C22H26F2N2O2S/c23-15-11-9-12-16(24)19(15)21(28)26-22-18(20(25)27)14-10-7-5-3-1-2-4-6-8-13-17(14)29-22/h9,11-12H,1-8,10,13H2,(H2,25,27)(H,26,28)
InChIKey FUFWJHKSYGYSHC-UHFFFAOYSA-N
Mol Weight 420.52 g/mol
Molecular Formula C22H26F2N2O2S
Exact Mass 420.168306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wac5xV0ci3
Name 2-[(2,6-Difluorobenzoyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thiophene-3-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.168305583 u
Formula C22H26F2N2O2S
InChI InChI=1S/C22H26F2N2O2S/c23-15-11-9-12-16(24)19(15)21(28)26-22-18(20(25)27)14-10-7-5-3-1-2-4-6-8-13-17(14)29-22/h9,11-12H,1-8,10,13H2,(H2,25,27)(H,26,28)
InChIKey FUFWJHKSYGYSHC-UHFFFAOYSA-N
Molecular Weight 420.519 g/mol
SMILES N(C1=C(C(=O)N)C2=C(S1)CCCCCCCCCC2)C(C=1C(F)=CC=CC1F)=O