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1-ACETYL-7-METHYL-3-PHENYL-5,6,7,7A-TETRAHYDRO-1H-IMIDAZO-[4,5-E]-1,2,4-TRIAZIN-6-THIONE
SpectraBase Compound ID 6INIUK9Ahgu
InChI InChI=1S/2C13H13N5OS/c2*1-8(19)18-12-11(17(2)13(20)15-12)14-10(16-18)9-6-4-3-5-7-9/h2*3-7,12H,1-2H3,(H,15,20)
InChIKey NGKPAJFGHRXGPS-UHFFFAOYSA-N
Mol Weight 574.68 g/mol
Molecular Formula C26H26N10O2S2
Exact Mass 574.168162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9AWyUzl2HIX
Name 1-ACETYL-7-METHYL-3-PHENYL-5,6,7,7A-TETRAHYDRO-1H-IMIDAZO-[4,5-E]-1,2,4-TRIAZIN-6-THIONE
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H26N10O2S2
InChI InChI=1S/2C13H13N5OS/c2*1-8(19)18-12-11(17(2)13(20)15-12)14-10(16-18)9-6-4-3-5-7-9/h2*3-7,12H,1-2H3,(H,15,20)
InChIKey NGKPAJFGHRXGPS-UHFFFAOYSA-N
Literature Reference Author O.N.CHUPAKHIN,G.L.RUSINOV,D.G.BERESNEV,V.N.CHARUSHIN,H.NEUNH OEFFER
Literature Reference Citation J.HETCYCL.CHEM.,38,901(2001)
Literature Reference DOI 10.1002/jhet.5570380414
Molecular Weight 574.678 g/mol
Solvent CF3COOD
Source File Reference UWLU21376