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5-methyl-6-nitro-1H-[1,2,4]triazolo[5,1-b]pyrimidin-7-one
SpectraBase Compound ID 4M4IVtkopJQ
InChI InChI=1S/C6H5N5O3/c1-3-4(11(13)14)5(12)10-6(9-3)7-2-8-10/h2H,1H3,(H,7,8,9)
InChIKey VUZRUCMCZNGSSM-UHFFFAOYSA-N
Mol Weight 195.14 g/mol
Molecular Formula C6H5N5O3
Exact Mass 195.039239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3eE0Y4ohhh
Name 5-METHYL-6-NITRO-7-OXO--4,7-DIHYDRO--1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE
Comments EN
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H5N5O3
InChI InChI=1S/C6H5N5O3/c1-3-4(11(13)14)5(12)10-6(9-3)7-2-8-10/h2H,1H3,(H,7,8,9)
InChIKey VUZRUCMCZNGSSM-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference M.N.KUSHNIR, V.L.RUSINOV, E.N.ULOMSKY, N.A.KLYUEV, S.V.SHORSHNEV,G.G.ALEKSANDROV, O.N.CHUPAKHIN (1993) Zhurn.Org.Khim.(Russ. Lang.): v.29, N3,629-638.
NMR Standard C4H8O2
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo