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7-AMINO-5-(4-FLUOROPHENYL)-4,5-DIHYDRO-(1,2,4)-TRIAZOLO-[1,5-A]-PYRIMIDINE-6-CARBONITRILE
SpectraBase Compound ID J2K0kmdXYc4
InChI InChI=1S/C12H9FN6/c13-8-3-1-7(2-4-8)10-9(5-14)11(15)19-12(18-10)16-6-17-19/h1-4,6,10H,15H2,(H,16,17,18)
InChIKey KMAYAXIODGEDND-UHFFFAOYSA-N
Mol Weight 256.24 g/mol
Molecular Formula C12H9FN6
Exact Mass 256.087272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KBALrJPTlFO
Name 7-AMINO-5-(4-FLUOROPHENYL)-4,5-DIHYDRO-(1,2,4)-TRIAZOLO-[1,5-A]-PYRIMIDINE-6-CARBONITRILE
Compound Number 13B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9FN6
InChI InChI=1S/C12H9FN6/c13-8-3-1-7(2-4-8)10-9(5-14)11(15)19-12(18-10)16-6-17-19/h1-4,6,10H,15H2,(H,16,17,18)
InChIKey KMAYAXIODGEDND-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 256.242 g/mol
Sample ID 42193
Solvent DMSO-D6