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METHYL_7-PHENYL-5-(1,1,2,2-TETRAFLUOROETHYL)-4,7-DIHYDROTETRAZOLO-[1.5-A]-PYRIMIDINE-6-CARBOXYLATE
SpectraBase Compound ID CTzczttAO4P
InChI InChI=1S/C14H11F4N5O2/c1-25-11(24)8-9(7-5-3-2-4-6-7)23-13(20-21-22-23)19-10(8)14(17,18)12(15)16/h2-6,9,12H,1H3,(H,19,20,22)
InChIKey MZNJSUXQJRMJPJ-UHFFFAOYSA-N
Mol Weight 357.27 g/mol
Molecular Formula C14H11F4N5O2
Exact Mass 357.084887 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0gsSJQYhoU
Name METHYL_7-PHENYL-5-(1,1,2,2-TETRAFLUOROETHYL)-4,7-DIHYDROTETRAZOLO-[1.5-A]-PYRIMIDINE-6-CARBOXYLATE
Compound Number VII-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H11F4N5O2
InChI InChI=1S/C14H11F4N5O2/c1-25-11(24)8-9(7-5-3-2-4-6-7)23-13(20-21-22-23)19-10(8)14(17,18)12(15)16/h2-6,9,12H,1H3,(H,19,20,22)
InChIKey MZNJSUXQJRMJPJ-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 UWMZ16366