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E-1-(2-Pyrimidinylamino)-2-nitro-propene cation

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E-1-(2-Pyrimidinylamino)-2-nitro-propene cation
SpectraBase Compound ID 4nZJqiuUBOA
InChI InChI=1S/C7H8N4O2/c1-6(11(12)13)5-10-7-8-3-2-4-9-7/h2-5H,1H3,(H,8,9,10)/p+1/b6-5+
InChIKey GBPHDTKRMDWXGB-AATRIKPKSA-O
Mol Weight 181.18 g/mol
Molecular Formula C7H9N4O2
Exact Mass 181.072551 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZPswpeRCin
Name E-1-(2-Pyrimidinylamino)-2-nitro-propene cation
Comments TRIFLUOROACETATE, REASSIGNED A.H.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H9N4O2
InChI InChI=1S/C7H8N4O2/c1-6(11(12)13)5-10-7-8-3-2-4-9-7/h2-5H,1H3,(H,8,9,10)/p+1/b6-5+
InChIKey GBPHDTKRMDWXGB-AATRIKPKSA-O
Instrument Name Jeol FX-90
Literature Reference L. Kozerski, A. Krowczynski, Magn. Res. Chem. 25, 46 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CF3COOH