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3-[N-(5-OXO-3-THIOXO-6-PHENYL-1,2,4-TRIAZINYL-4)]-IMINOPENTADIONE-2,4
SpectraBase Compound ID 14RFEYB2uTX
InChI InChI=1S/C14H12N4O3S/c1-8(19)11(9(2)20)17-18-13(21)12(15-16-14(18)22)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,16,22)
InChIKey UVYQYTQNUJPOOA-UHFFFAOYSA-N
Mol Weight 316.34 g/mol
Molecular Formula C14H12N4O3S
Exact Mass 316.063011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HMjkR1gwZ5R
Name 3-[N-(5-OXO-3-THIOXO-6-PHENYL-1,2,4-TRIAZINYL-4)]-IMINOPENTADIONE-2,4
Compound Number III
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12N4O3S
InChI InChI=1S/C14H12N4O3S/c1-8(19)11(9(2)20)17-18-13(21)12(15-16-14(18)22)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,16,22)
InChIKey UVYQYTQNUJPOOA-UHFFFAOYSA-N
Literature Reference Author L.M.MIRONOVICH
Literature Reference Citation CHEM.HET.COMP.,34,617(1998)
Literature Reference DOI 10.1007/bf02290948
Molecular Weight 316.334 g/mol
Solvent DMSO-D6
Source File Reference UWMZ14526