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4-[N-(2-METHOXYCARBONYLPHENYL)-THIOCARBAMOYLTHIO]-BUTYRIC-ACID
SpectraBase Compound ID 20gLGjfOeqA
InChI InChI=1S/C13H15NO4S2/c1-18-12(17)9-5-2-3-6-10(9)14-13(19)20-8-4-7-11(15)16/h2-3,5-6H,4,7-8H2,1H3,(H,14,19)(H,15,16)
InChIKey LVVSRCWZMUAUQX-UHFFFAOYSA-N
Mol Weight 313.39 g/mol
Molecular Formula C13H15NO4S2
Exact Mass 313.04425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8DiTQjMN7Zs
Name 4-[N-(2-METHOXYCARBONYLPHENYL)-THIOCARBAMOYLTHIO]-BUTYRIC-ACID
Compound Number 3Q
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15NO4S2
InChI InChI=1S/C13H15NO4S2/c1-18-12(17)9-5-2-3-6-10(9)14-13(19)20-8-4-7-11(15)16/h2-3,5-6H,4,7-8H2,1H3,(H,14,19)(H,15,16)
InChIKey LVVSRCWZMUAUQX-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 313.386 g/mol
Solvent CDCl3
Source File Reference UWSI24517