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2-(adamantane-1-carbonylamino)-6-tert-butyl-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

View entire compound with spectra: 1 MS (GC)

2-(adamantane-1-carbonylamino)-6-tert-butyl-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID 5PQFhaxbI5R
InChI InChI=1S/C31H37F3N2O2S/c1-29(2,3)20-8-9-21-24(13-20)39-27(25(21)26(37)35-23-7-5-4-6-22(23)31(32,33)34)36-28(38)30-14-17-10-18(15-30)12-19(11-17)16-30/h4-7,17-20H,8-16H2,1-3H3,(H,35,37)(H,36,38)/t17-,18+,19-,20?,30-
InChIKey KNHFMUJZTXRKSW-RPNQALEQSA-N
Mol Weight 558.7 g/mol
Molecular Formula C31H37F3N2O2S
Exact Mass 558.252784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K96lC4SCak8
Name 2-(adamantane-1-carbonylamino)-6-tert-butyl-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H37F3N2O2S
InChI InChI=1S/C31H37F3N2O2S/c1-29(2,3)20-8-9-21-24(13-20)39-27(25(21)26(37)35-23-7-5-4-6-22(23)31(32,33)34)36-28(38)30-14-17-10-18(15-30)12-19(11-17)16-30/h4-7,17-20H,8-16H2,1-3H3,(H,35,37)(H,36,38)/t17-,18+,19-,20?,30-
InChIKey KNHFMUJZTXRKSW-RPNQALEQSA-N
Molecular Weight 558.704 g/mol
SMILES N(c1c(C(Nc2c(C(F)(F)F)cccc2)=O)c2c(s1)CC(CC2)C(C)(C)C)C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O
SPLASH splash10-000i-5900000000-f2ba36ee2adb01a4edb0
Synonyms 2-(adamantane-1-carbonylamino)-6-tert-butyl-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 2-[[1-adamantyl(oxo)methyl]amino]-6-tert-butyl-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Wiley ID 1458807