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2-Thioxo-1,3-thiazepan-4-one
SpectraBase Compound ID K8FYkWzF5Zl
InChI InChI=1S/C5H7NOS2/c7-4-2-1-3-9-5(8)6-4/h1-3H2,(H,6,7,8)
InChIKey OPBRPERBSVTDHE-UHFFFAOYSA-N
Mol Weight 161.24 g/mol
Molecular Formula C5H7NOS2
Exact Mass 160.996906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HWWvVYxXT1Q
Name 2-Thioxo-1,3-thiazepan-4-one
Alternate Name(s) 2-sulfanylidene-1,3-thiazepan-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C5H7NOS2
InChI InChI=1S/C5H7NOS2/c7-4-2-1-3-9-5(8)6-4/h1-3H2,(H,6,7,8)
InChIKey OPBRPERBSVTDHE-UHFFFAOYSA-N
Molecular Weight 161.237 g/mol
SMILES N1C(CCCSC1=S)=O
SPLASH splash10-0ik9-0900000000-6bd0c03e4991dd14bc4b
Source of Spectrum Y-36-1173-6
Wiley ID 762438