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

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3-Benzyl-2-thioxo-1,3-thiazepan-4-one
SpectraBase Compound ID 2jpJsWtIp0G
InChI InChI=1S/C12H13NOS2/c14-11-7-4-8-16-12(15)13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey NCZZZDOUKVTXQQ-UHFFFAOYSA-N
Mol Weight 251.36 g/mol
Molecular Formula C12H13NOS2
Exact Mass 251.043856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F4oD0owZeuW
Name 3-BENZYL-2-THIOXO-1,3-THIAZEPAN-4-ONE
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NOS2
InChI InChI=1S/C12H13NOS2/c14-11-7-4-8-16-12(15)13(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey NCZZZDOUKVTXQQ-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 251.361 g/mol
Solvent CDCl3
Source File Reference UWSI24521