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7-AMINO-4,5-DIHYDRO-5-(3-NITROPHENYL)-(1,2,4)-TRIAZOLO-[1,5-A]-PYRIMIDINE-6-CARBONITRILE
SpectraBase Compound ID KOZ1yNY3yZe
InChI InChI=1S/C12H9N7O2/c13-5-9-10(7-2-1-3-8(4-7)19(20)21)17-12-15-6-16-18(12)11(9)14/h1-4,6,10H,14H2,(H,15,16,17)
InChIKey WQOIAHVTYXVWRH-UHFFFAOYSA-N
Mol Weight 283.25 g/mol
Molecular Formula C12H9N7O2
Exact Mass 283.081773 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A6ZMaP4K0E3
Name 7-AMINO-4,5-DIHYDRO-5-(3-NITROPHENYL)-(1,2,4)-TRIAZOLO-[1,5-A]-PYRIMIDINE-6-CARBONITRILE
Compound Number 13C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9N7O2
InChI InChI=1S/C12H9N7O2/c13-5-9-10(7-2-1-3-8(4-7)19(20)21)17-12-15-6-16-18(12)11(9)14/h1-4,6,10H,14H2,(H,15,16,17)
InChIKey WQOIAHVTYXVWRH-UHFFFAOYSA-N
Literature Reference Author S.A.KOMYKHOV,K.S.OSTRAS,A.R.KOSTANYAN,S.M.DESENKO,V.D.ORLOV, H.MEIER
Literature Reference Citation J.HETCYCL.CHEM.,42,1111(2005)
Literature Reference DOI 10.1002/jhet.5570420612
Molecular Weight 283.249 g/mol
Sample ID 42194
Solvent DMSO-D6