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3-(3-METHYLPHENYL)-2-THIOXO-1,3-THIAZEPAN-4-ONE

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3-(3-METHYLPHENYL)-2-THIOXO-1,3-THIAZEPAN-4-ONE
SpectraBase Compound ID 7CaL5ottFJc
InChI InChI=1S/C12H13NOS2/c1-9-4-2-5-10(8-9)13-11(14)6-3-7-16-12(13)15/h2,4-5,8H,3,6-7H2,1H3
InChIKey LLRKFTWMBLVRMM-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 EesFefUQEA4
Name 3-(3-METHYLPHENYL)-2-THIOXO-1,3-THIAZEPAN-4-ONE
Compound Number 6H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NOS2
InChI InChI=1S/C12H13NOS2/c1-9-4-2-5-10(8-9)13-11(14)6-3-7-16-12(13)15/h2,4-5,8H,3,6-7H2,1H3
InChIKey LLRKFTWMBLVRMM-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 UWSI24524