John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4rYsiv8O6us SpectraBase Spectrum ID=111o46mfWjZ

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4-[N-(2-TOLYL)-THIOCARBAMOYLTHIO]-BUTYRIC-ACID
SpectraBase Compound ID 4rYsiv8O6us
InChI InChI=1S/C12H15NO2S2/c1-9-5-2-3-6-10(9)13-12(16)17-8-4-7-11(14)15/h2-3,5-6H,4,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKey CPVBLXMOJFGZOE-UHFFFAOYSA-N
Mol Weight 269.38 g/mol
Molecular Formula C12H15NO2S2
Exact Mass 269.054422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 111o46mfWjZ
Name 4-[N-(2-TOLYL)-THIOCARBAMOYLTHIO]-BUTYRIC-ACID
Compound Number 3G
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15NO2S2
InChI InChI=1S/C12H15NO2S2/c1-9-5-2-3-6-10(9)13-12(16)17-8-4-7-11(14)15/h2-3,5-6H,4,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKey CPVBLXMOJFGZOE-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 269.377 g/mol
Solvent DMSO-D6
Source File Reference UWSI24516
SpectraBase Batch ID DxQQvCrXY42