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5,7-DITRIFLUOROMETHYL-1,2,4-TRIAZOLO-[1,5A]-PYRIMIDINE
SpectraBase Compound ID HFCLGHolFUJ
InChI InChI=1S/C7H2F6N4/c8-6(9,10)3-1-4(7(11,12)13)17-5(16-3)14-2-15-17/h1-2H
InChIKey IKMMEQOPLNOBDG-UHFFFAOYSA-N
Mol Weight 256.11 g/mol
Molecular Formula C7H2F6N4
Exact Mass 256.018365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HWFVUPQMCsN
Name 5,7-DITRIFLUOROMETHYL-1,2,4-TRIAZOLO-[1,5A]-PYRIMIDINE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H2F6N4
InChI InChI=1S/C7H2F6N4/c8-6(9,10)3-1-4(7(11,12)13)17-5(16-3)14-2-15-17/h1-2H
InChIKey IKMMEQOPLNOBDG-UHFFFAOYSA-N
Literature Reference Author A.GRODZICKI,E.SZLYK,L.PAZDERSKI,A.GOLINSKI
Literature Reference Citation MAGN.RES.CHEM.,34,725(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199609)34:9<725::aid-omr939>3.0.co;2-z
Molecular Weight 256.110 g/mol
Solvent DMSO-D6
Source File Reference UWCP946