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3-Benzoyl-2-benzoylamidocyclohexa[b]thiophene

View entire compound with spectra: 2 NMR, and 1 MS (GC)

3-Benzoyl-2-benzoylamidocyclohexa[b]thiophene
SpectraBase Compound ID Iswa7evoX8L
InChI InChI=1S/C22H19NO2S/c24-20(15-9-3-1-4-10-15)19-17-13-7-8-14-18(17)26-22(19)23-21(25)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,23,25)
InChIKey IIBKSSZSAZHZFY-UHFFFAOYSA-N
Mol Weight 361.46 g/mol
Molecular Formula C22H19NO2S
Exact Mass 361.11365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6yMyfkEEmmI
Name 3-Benzoyl-2-benzoylamidocyclohexa[B]thiophene
Comments Computed using HOSE algorithm
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Exact Mass 361.113650028 u
Formula C22H19NO2S
InChI InChI=1S/C22H19NO2S/c24-20(15-9-3-1-4-10-15)19-17-13-7-8-14-18(17)26-22(19)23-21(25)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,23,25)
InChIKey IIBKSSZSAZHZFY-UHFFFAOYSA-N
Molecular Weight 361.459 g/mol
SMILES C1(=C(SC2=C1CCCC2)NC(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1