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

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3-(4-METHOXYPHENYL)-2-THIOXO-1,3-THIAZEPAN-4-ONE
SpectraBase Compound ID Kmafhm4KKuw
InChI InChI=1S/C12H13NO2S2/c1-15-10-6-4-9(5-7-10)13-11(14)3-2-8-17-12(13)16/h4-7H,2-3,8H2,1H3
InChIKey VTUNEYVLLIPXKD-UHFFFAOYSA-N
Mol Weight 267.36 g/mol
Molecular Formula C12H13NO2S2
Exact Mass 267.038771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DLfjycKQrTX
Name 3-(4-METHOXYPHENYL)-2-THIOXO-1,3-THIAZEPAN-4-ONE
Compound Number 6J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NO2S2
InChI InChI=1S/C12H13NO2S2/c1-15-10-6-4-9(5-7-10)13-11(14)3-2-8-17-12(13)16/h4-7H,2-3,8H2,1H3
InChIKey VTUNEYVLLIPXKD-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 267.361 g/mol
Solvent CDCl3
Source File Reference UWSI24526