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ETHYL_5-HYDROXY-7-METHYL-5-TRIFLUOROMETHYL-TETRAZOLO-[1.5-A]-PYRIMIDINE-6-CARBOXYLATE;ISOMER_E'
SpectraBase Compound ID Gh6FtvNrfjJ
InChI InChI=1S/C9H12F3N5O3/c1-3-20-6(18)5-4(2)17-7(14-15-16-17)13-8(5,19)9(10,11)12/h4-5,19H,3H2,1-2H3,(H,13,14,16)
InChIKey FFHRQRYYJCQOQG-UHFFFAOYSA-N
Mol Weight 295.22 g/mol
Molecular Formula C9H12F3N5O3
Exact Mass 295.089224 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5nKLBwylGi
Name ETHYL_5-HYDROXY-7-METHYL-5-TRIFLUOROMETHYL-TETRAZOLO-[1.5-A]-PYRIMIDINE-6-CARBOXYLATE;ISOMER_E'
Compound Number IV-C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12F3N5O3
InChI InChI=1S/C9H12F3N5O3/c1-3-20-6(18)5-4(2)17-7(14-15-16-17)13-8(5,19)9(10,11)12/h4-5,19H,3H2,1-2H3,(H,13,14,16)
InChIKey FFHRQRYYJCQOQG-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 UWMZ16363