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1,3-DIMETHYL-5-(3'-OXO-1',3'-DIHYDROISOBENZOFURAN-1'-YL)-2-THIOBARBITURIC_ACID;ENOL-FORM
SpectraBase Compound ID GZuMJ1YjH0F
InChI InChI=1S/C14H12N2O4S/c1-15-11(17)9(12(18)16(2)14(15)21)10-7-5-3-4-6-8(7)13(19)20-10/h3-6,10,17H,1-2H3
InChIKey VYUGCBUBOGTICE-UHFFFAOYSA-N
Mol Weight 304.32 g/mol
Molecular Formula C14H12N2O4S
Exact Mass 304.051778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K546UHNS4BG
Name 1,3-DIMETHYL-5-(3'-OXO-1',3'-DIHYDROISOBENZOFURAN-1'-YL)-2-THIOBARBITURIC_ACID;ENOL-FORM
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12N2O4S
InChI InChI=1S/C14H12N2O4S/c1-15-11(17)9(12(18)16(2)14(15)21)10-7-5-3-4-6-8(7)13(19)20-10/h3-6,10,17H,1-2H3
InChIKey VYUGCBUBOGTICE-UHFFFAOYSA-N
Literature Reference Author K.A.KRASNOV,V.G.KARTSEV,E.E.SANTAROVICH
Literature Reference Citation CHEM.HET.COMP.,38,702(2002)
Literature Reference DOI 10.1023/a:1019973404301
Molecular Weight 304.320 g/mol
Solvent DMSO-D6
Source File Reference UWMZ10848