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11-Oxo-5a,6,7,8,9,9a,10,11-octahydrodibenzo[b,f][1,4]thiazepin-9a-(N-cyclohexylcarboxamide)
SpectraBase Compound ID Emqzw0vt9fQ
InChI InChI=1S/C20H26N2O2S/c23-18-15-10-4-5-11-16(15)25-17-12-6-7-13-20(17,22-18)19(24)21-14-8-2-1-3-9-14/h4-5,10-11,14,17H,1-3,6-9,12-13H2,(H,21,24)(H,22,23)
InChIKey CCPRXGAHJSCOLW-UHFFFAOYSA-N
Mol Weight 358.5 g/mol
Molecular Formula C20H26N2O2S
Exact Mass 358.171499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID El2xOVvU6cW
Name 11-Oxo-5a,6,7,8,9,9a,10,11-octahydrodibenzo[b,f][1,4]thiazepin-9a-(N-cyclohexylcarboxamide)
Comments Less than 3 mono-isotopic peaks
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Formula C20H26N2O2S
InChI InChI=1S/C20H26N2O2S/c23-18-15-10-4-5-11-16(15)25-17-12-6-7-13-20(17,22-18)19(24)21-14-8-2-1-3-9-14/h4-5,10-11,14,17H,1-3,6-9,12-13H2,(H,21,24)(H,22,23)
InChIKey CCPRXGAHJSCOLW-UHFFFAOYSA-N
Molecular Weight 358.500 g/mol
SMILES N1C(c2ccccc2SC2C1(C(NC1CCCCC1)=O)CCCC2)=O
SPLASH splash10-001i-0093000000-1aeb2956c96cea66ddbd
Source of Spectrum F-68-3318-11
Synonyms N-cyclohexyl-6-oxo-1,2,3,4,5,11a-hexahydrobenzo[b][1,4]benzothiazepine-4a-carboxamide N-cyclohexyl-6-oxidanylidene-1,2,3,4,5,11a-hexahydrobenzo[b][1,4]benzothiazepine-4a-carboxamide
Wiley ID 1572361