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ETHYL_7-PHENYL-5-TRIFLUOROMETHYL-4,7-DIHYDRO-[1.2.4]-TRIAZOLO-[1.5-A]-PYRIMIDINE-6-CARBOXYLATE
SpectraBase Compound ID AFpyEHaVpwF
InChI InChI=1S/C15H13F3N4O2/c1-2-24-13(23)10-11(9-6-4-3-5-7-9)22-14(19-8-20-22)21-12(10)15(16,17)18/h3-8,11H,2H2,1H3,(H,19,20,21)
InChIKey QRWKUXMZUUVODV-UHFFFAOYSA-N
Mol Weight 338.29 g/mol
Molecular Formula C15H13F3N4O2
Exact Mass 338.09906 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4yenELOh15D
Name ETHYL_7-PHENYL-5-TRIFLUOROMETHYL-4,7-DIHYDRO-[1.2.4]-TRIAZOLO-[1.5-A]-PYRIMIDINE-6-CARBOXYLATE
Compound Number V I-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13F3N4O2
InChI InChI=1S/C15H13F3N4O2/c1-2-24-13(23)10-11(9-6-4-3-5-7-9)22-14(19-8-20-22)21-12(10)15(16,17)18/h3-8,11H,2H2,1H3,(H,19,20,21)
InChIKey QRWKUXMZUUVODV-UHFFFAOYSA-N
Literature Reference Author M.V.PRYADEINA,Y.V.BURGART,V.I.SALOUTIN,M.I.KODESS,E.N.ULOMSK II,V.L.RUSINOV
Literature Reference Citation RUSS.J.ORG.CHEM.,40,902(2004)
Literature Reference DOI 10.1023/B:RUJO.0000044558.47152.65
Solvent DMSO-D6
Source File Reference UWMZ16368