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2-Thioxo-1,3-thiazepan-4-one

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IaakRAzE4dS
Name 2-THIOXO-1,3-THIAZEPAN-4-ONE
Compound Number 6W
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author W.HANEFELD,H.SCHUETZ
Literature Reference Citation J.HETCYCL.CHEM.,36,1167(1999)
Literature Reference DOI 10.1002/jhet.5570360509
Molecular Weight 161.237 g/mol
Solvent CDCl3:DMSO-D6=1:1
Source File Reference UWSI24536