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(RS)-2-METHYL-4-(4-METHYLPHENYLHYDRAZONO)-5-OXO-3-THIAHEXANOIC-ACID
SpectraBase Compound ID 29yADFMYXMA
InChI InChI=1S/C13H16N2O3S/c1-8-4-6-11(7-5-8)14-15-12(9(2)16)19-10(3)13(17)18/h4-7,10,14H,1-3H3,(H,17,18)/b15-12+
InChIKey WASKREJVAOHILD-NTCAYCPXSA-N
Mol Weight 280.34 g/mol
Molecular Formula C13H16N2O3S
Exact Mass 280.088164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KOPkdBg2Hrn
Name (RS)-2-METHYL-4-(4-METHYLPHENYLHYDRAZONO)-5-OXO-3-THIAHEXANOIC-ACID
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16N2O3S
InChI InChI=1S/C13H16N2O3S/c1-8-4-6-11(7-5-8)14-15-12(9(2)16)19-10(3)13(17)18/h4-7,10,14H,1-3H3,(H,17,18)/b15-12+
InChIKey WASKREJVAOHILD-NTCAYCPXSA-N
Literature Reference Author B.A.THAHER,H.H.OTTO
Literature Reference Citation MH.CHEM.,133,1011(2002)
Literature Reference DOI 10.1007/s007060200070
Molecular Weight 280.342 g/mol
Solvent DMSO-D6
Source File Reference UWKP4492