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METHYL-2-(4-OXO-2-THIOXO-1,3-THIAZEPAN-3-YL)-BENZOATE

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METHYL-2-(4-OXO-2-THIOXO-1,3-THIAZEPAN-3-YL)-BENZOATE
SpectraBase Compound ID J6u0uQqEfY8
InChI InChI=1S/C13H13NO3S2/c1-17-12(16)9-5-2-3-6-10(9)14-11(15)7-4-8-19-13(14)18/h2-3,5-6H,4,7-8H2,1H3
InChIKey DXEKYHWJBVSZQP-UHFFFAOYSA-N
Mol Weight 295.37 g/mol
Molecular Formula C13H13NO3S2
Exact Mass 295.033686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9TZIbzsqkNg
Name METHYL-2-(4-OXO-2-THIOXO-1,3-THIAZEPAN-3-YL)-BENZOATE
Compound Number 6Q
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13NO3S2
InChI InChI=1S/C13H13NO3S2/c1-17-12(16)9-5-2-3-6-10(9)14-11(15)7-4-8-19-13(14)18/h2-3,5-6H,4,7-8H2,1H3
InChIKey DXEKYHWJBVSZQP-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 295.371 g/mol
Solvent CDCl3
Source File Reference UWSI24532