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3-NITRO-1,2,4-TRIAZOLO-[5.1-C]-1,2,4-TRIAZIN-4-ONE
SpectraBase Compound ID JLFE29NmMlL
InChI InChI=1S/C4H2N6O3/c11-3-2(10(12)13)7-8-4-5-1-6-9(3)4/h1H,(H,5,6,8)
InChIKey PJWJEUJIMJNSEA-UHFFFAOYSA-N
Mol Weight 182.1 g/mol
Molecular Formula C4H2N6O3
Exact Mass 182.018838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hyb9wPTOVkY
Name 3-NITRO-1,2,4-TRIAZOLO-[5.1-C]-1,2,4-TRIAZIN-4-ONE
Compound Number IA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H2N6O3
InChI InChI=1S/C4H2N6O3/c11-3-2(10(12)13)7-8-4-5-1-6-9(3)4/h1H,(H,5,6,8)
InChIKey PJWJEUJIMJNSEA-UHFFFAOYSA-N
Literature Reference Author E.N.ULOMSKII,S.L.DEEV,A.V.TKACHEV,I.K.MOISEEV,V.L.RUSINOV
Literature Reference Citation RUSS.J.ORG.CHEM.,38,272(2002)
Literature Reference DOI 10.1023/A:1015538322029
Molecular Weight 182.098 g/mol
Solvent DMSO-D6