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2-Chloranyl-1-(4-methylsulfanyl-2H-1,5-benzothiazepin-5-yl)ethanone
SpectraBase Compound ID By73fBZW5FD
InChI InChI=1S/C12H12ClNOS2/c1-16-12-6-7-17-10-5-3-2-4-9(10)14(12)11(15)8-13/h2-6H,7-8H2,1H3
InChIKey BSVWEWBFSYLQGH-UHFFFAOYSA-N
Mol Weight 285.81 g/mol
Molecular Formula C12H12ClNOS2
Exact Mass 285.004884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1o8Q3m6eiD
Name 2-Chloranyl-1-(4-methylsulfanyl-2H-1,5-benzothiazepin-5-yl)ethanone
Alternate Name(s) 2-Chloro-1-(4-methylsulfanyl-2H-1,5-benzothiazepin-5-yl)ethanone 2-Chloro-1-[4-(methylthio)-2H-1,5-benzothiazepin-5-yl]ethanone
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Formula C12H12ClNOS2
InChI InChI=1S/C12H12ClNOS2/c1-16-12-6-7-17-10-5-3-2-4-9(10)14(12)11(15)8-13/h2-6H,7-8H2,1H3
InChIKey BSVWEWBFSYLQGH-UHFFFAOYSA-N
Molecular Weight 285.807 g/mol
SMILES C=1(N(c2c(SCC1)cccc2)C(=O)CCl)SC
SPLASH splash10-03dr-0970000000-7ba60396e618b3f64027
Source of Spectrum Y-34-826-34
Wiley ID 1288727