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METHYL_7-PHENYL-5-(1,1,2,2-TETRAFLUOROETHYL)-4,7-DIHYDRO-[1.2.4]-TRIAZOLO-[1.5-A]-PYRIMIDINE-6-CARBOXYLATE
SpectraBase Compound ID 9xABr2Gqptm
InChI InChI=1S/C15H12F4N4O2/c1-25-12(24)9-10(8-5-3-2-4-6-8)23-14(20-7-21-23)22-11(9)15(18,19)13(16)17/h2-7,10,13H,1H3,(H,20,21,22)
InChIKey ZUKVROBJFLJPEP-UHFFFAOYSA-N
Mol Weight 356.28 g/mol
Molecular Formula C15H12F4N4O2
Exact Mass 356.089638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6xkTeKZ4cqE
Name METHYL_7-PHENYL-5-(1,1,2,2-TETRAFLUOROETHYL)-4,7-DIHYDRO-[1.2.4]-TRIAZOLO-[1.5-A]-PYRIMIDINE-6-CARBOXYLATE
Compound Number VI-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H12F4N4O2
InChI InChI=1S/C15H12F4N4O2/c1-25-12(24)9-10(8-5-3-2-4-6-8)23-14(20-7-21-23)22-11(9)15(18,19)13(16)17/h2-7,10,13H,1H3,(H,20,21,22)
InChIKey ZUKVROBJFLJPEP-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
Molecular Weight 356.279 g/mol
Solvent DMSO-D6
Source File Reference UWMZ16369