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3-Ethyl-2-thioxo-1,3-thiazepan-4-one

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3-Ethyl-2-thioxo-1,3-thiazepan-4-one
SpectraBase Compound ID IBw5zGCVchw
InChI InChI=1S/C7H11NOS2/c1-2-8-6(9)4-3-5-11-7(8)10/h2-5H2,1H3
InChIKey MTCXXRSTVIOVBP-UHFFFAOYSA-N
Mol Weight 189.29 g/mol
Molecular Formula C7H11NOS2
Exact Mass 189.028206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DybFLMe7wvj
Name 3-ETHYL-2-THIOXO-1,3-THIAZEPAN-4-ONE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H11NOS2
InChI InChI=1S/C7H11NOS2/c1-2-8-6(9)4-3-5-11-7(8)10/h2-5H2,1H3
InChIKey MTCXXRSTVIOVBP-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 189.290 g/mol
Solvent CDCl3
Source File Reference UWSI24519