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1-(4-METHYLPHENYL)PYRIDO[3,2-E]-2-THIOURACIL
SpectraBase Compound ID HuwfKdonFMj
InChI InChI=1S/C14H11N3OS/c1-9-4-6-10(7-5-9)17-12-11(3-2-8-15-12)13(18)16-14(17)19/h2-8H,1H3,(H,16,18,19)
InChIKey SYAFLFTYRHAGAP-UHFFFAOYSA-N
Mol Weight 269.32 g/mol
Molecular Formula C14H11N3OS
Exact Mass 269.062283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9sdBmd95c32
Name 1-(4-METHYLPHENYL)PYRIDO[3,2-E]-2-THIOURACIL
Comments MP
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H11N3OS
InChI InChI=1S/C14H11N3OS/c1-9-4-6-10(7-5-9)17-12-11(3-2-8-15-12)13(18)16-14(17)19/h2-8H,1H3,(H,16,18,19)
InChIKey SYAFLFTYRHAGAP-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference D.KOSCIK, P.KRISTIAN, J.GONDA, E.DANDAROVA (1983) Coll.Czech.Chem.Comm.: v.48,N11, 3315-3328.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/C2D6SO