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4-Benzyl-3-methyl-5-oxo-2,3,4,5,6,7-hexahydro-1,4-thiazepin-3-(N-cyclohexylcarboxamide)
SpectraBase Compound ID JiASkQRpvWC
InChI InChI=1S/C20H28N2O2S/c1-20(19(24)21-17-10-6-3-7-11-17)15-25-13-12-18(23)22(20)14-16-8-4-2-5-9-16/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3,(H,21,24)
InChIKey ZDYFWYQLXRZJAC-UHFFFAOYSA-N
Mol Weight 360.52 g/mol
Molecular Formula C20H28N2O2S
Exact Mass 360.187149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8IHfBEz7Tx
Name 4-Benzyl-3-methyl-5-oxo-2,3,4,5,6,7-hexahydro-1,4-thiazepin-3-(N-cyclohexylcarboxamide)
Comments Less than 3 mono-isotopic peaks
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Formula C20H28N2O2S
InChI InChI=1S/C20H28N2O2S/c1-20(19(24)21-17-10-6-3-7-11-17)15-25-13-12-18(23)22(20)14-16-8-4-2-5-9-16/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3,(H,21,24)
InChIKey ZDYFWYQLXRZJAC-UHFFFAOYSA-N
Molecular Weight 360.516 g/mol
SMILES N(C(C1(N(C(CCSC1)=O)Cc1ccccc1)C)=O)C1CCCCC1
SPLASH splash10-000i-0904000000-27654b4ab3e491797449
Source of Spectrum F-68-3317-5
Synonyms N-cyclohexyl-3-methyl-5-oxo-4-(phenylmethyl)-1,4-thiazepane-3-carboxamide 4-benzyl-N-cyclohexyl-3-methyl-5-oxo-1,4-thiazepane-3-carboxamide N-cyclohexyl-3-methyl-5-oxidanylidene-4-(phenylmethyl)-1,4-thiazepane-3-carboxamide
Wiley ID 1572368