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(2E)-2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-methoxy-ethanethioic acid S-methyl ester
SpectraBase Compound ID 99DMx1GEbDP
InChI InChI=1S/C13H15NO2S2/c1-16-12(13(15)17-2)10-7-8-18-11-6-4-3-5-9(11)14-10/h3-6,14H,7-8H2,1-2H3/b12-10+
InChIKey NUSDYZLNVQQHDL-ZRDIBKRKSA-N
Mol Weight 281.39 g/mol
Molecular Formula C13H15NO2S2
Exact Mass 281.054421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84Z1cWv42WT
Name (2E)-2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-methoxy-ethanethioic acid S-methyl ester
Alternate Name(s) S-methyl (2E)-2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-methoxy-ethanethioate (2E)-2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-methoxyethanethioic acid S-methyl ester
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Formula C13H15NO2S2
InChI InChI=1S/C13H15NO2S2/c1-16-12(13(15)17-2)10-7-8-18-11-6-4-3-5-9(11)14-10/h3-6,14H,7-8H2,1-2H3/b12-10+
InChIKey NUSDYZLNVQQHDL-ZRDIBKRKSA-N
Molecular Weight 281.388 g/mol
SMILES N1c2c(SCC\C1=C/(C(=O)SC)OC)cccc2
SPLASH splash10-0a59-0490000000-ee29f68a989f3ed9590f
Source of Spectrum F-53-8444-8
Wiley ID 802598