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7-AMINO-4,5-DIHYDRO-5-PHENYL-(1,2,4)-TRIAZOLO-[1,5-A]-PYRIMIDINE-6-CARBONITRILE
SpectraBase Compound ID 1kbUdIEEmM6
InChI InChI=1S/C12H10N6/c13-6-9-10(8-4-2-1-3-5-8)17-12-15-7-16-18(12)11(9)14/h1-5,7,10H,14H2,(H,15,16,17)
InChIKey XGOXBJKDUOBVLU-UHFFFAOYSA-N
Mol Weight 238.25 g/mol
Molecular Formula C12H10N6
Exact Mass 238.096694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GRt4azpzeBv
Name 7-AMINO-4,5-DIHYDRO-5-PHENYL-(1,2,4)-TRIAZOLO-[1,5-A]-PYRIMIDINE-6-CARBONITRILE
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10N6
InChI InChI=1S/C12H10N6/c13-6-9-10(8-4-2-1-3-5-8)17-12-15-7-16-18(12)11(9)14/h1-5,7,10H,14H2,(H,15,16,17)
InChIKey XGOXBJKDUOBVLU-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 238.252 g/mol
Sample ID 42192
Solvent DMSO-D6