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2-Acetyl-7-benzzyloxy-5,6,6a,7-tetrahydro-6a-methylthio-8H-azeto[1,2-d]thieno[2,3-b][1,4]thiazepin-8-one
SpectraBase Compound ID 5lBQzyV3gSQ
InChI InChI=1S/C19H19NO3S3/c1-12(21)15-10-14-18(26-15)25-9-8-19(24-2)16(17(22)20(14)19)23-11-13-6-4-3-5-7-13/h3-7,10,16H,8-9,11H2,1-2H3
InChIKey FVTPJWQATOETRP-UHFFFAOYSA-N
Mol Weight 405.55 g/mol
Molecular Formula C19H19NO3S3
Exact Mass 405.052707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWTU83qJUkn
Name 2-Acetyl-7-benzzyloxy-5,6,6a,7-tetrahydro-6a-methylthio-8H-azeto[1,2-d]thieno[2,3-b][1,4]thiazepin-8-one
Alternate Name(s) 2-Acetyl-7-(benzyloxy)-6a-(methylsulfanyl)-5,6,6a,7-tetrahydro-8H-azeto[1,2-d]thieno[2,3-b][1,4]thiazepin-8-one
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Formula C19H19NO3S3
InChI InChI=1S/C19H19NO3S3/c1-12(21)15-10-14-18(26-15)25-9-8-19(24-2)16(17(22)20(14)19)23-11-13-6-4-3-5-7-13/h3-7,10,16H,8-9,11H2,1-2H3
InChIKey FVTPJWQATOETRP-UHFFFAOYSA-N
Molecular Weight 405.545 g/mol
SMILES C12(N(c3c(SCC2)sc(c3)C(=O)C)C(C1OCc1ccccc1)=O)SC
SPLASH splash10-0006-9001100000-f5a3afcff4061dafa13c
Source of Spectrum H1-38-1636-20
Wiley ID 756554