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ETHYL_5-HYDROXY-7-METHYL-5-TRIFLUOROMETHYL-4,5,6,7-TETRAHYDRO-[1.2.4]-TRIAZOLO-[1.5-A]-PYRIMIDINE-6-CARBOXYLATE;ISOMER_E
SpectraBase Compound ID K96pDugpLuM
InChI InChI=1S/C10H13F3N4O3/c1-3-20-7(18)6-5(2)17-8(14-4-15-17)16-9(6,19)10(11,12)13/h4-6,19H,3H2,1-2H3,(H,14,15,16)
InChIKey VNUNMHWBMSIEHW-UHFFFAOYSA-N
Mol Weight 294.23 g/mol
Molecular Formula C10H13F3N4O3
Exact Mass 294.093975 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F752yANuVwj
Name ETHYL_5-HYDROXY-7-METHYL-5-TRIFLUOROMETHYL-4,5,6,7-TETRAHYDRO-[1.2.4]-TRIAZOLO-[1.5-A]-PYRIMIDINE-6-CARBOXYLATE;ISOMER_E'
Compound Number V
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H13F3N4O3
InChI InChI=1S/C10H13F3N4O3/c1-3-20-7(18)6-5(2)17-8(14-4-15-17)16-9(6,19)10(11,12)13/h4-6,19H,3H2,1-2H3,(H,14,15,16)
InChIKey VNUNMHWBMSIEHW-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 UWMZ16365