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5,7-DIHYDROXY-5-METHYL-7-TRIFLUOROMETHYL-2-(4-CHLOROPHENYL)-4,5,6,7-TETRAHYDROPYRAZOLO-[1.5-A]-PYRIMIDINE;ISOMER_1
SpectraBase Compound ID EUkBTEuJWOY
InChI InChI=1S/C14H13ClF3N3O2/c1-12(22)7-13(23,14(16,17)18)21-11(19-12)6-10(20-21)8-2-4-9(15)5-3-8/h2-6,19,22-23H,7H2,1H3
InChIKey JZAKRSGQIFUXDS-UHFFFAOYSA-N
Mol Weight 347.73 g/mol
Molecular Formula C14H13ClF3N3O2
Exact Mass 347.064839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hitb8czZttk
Name 5,7-DIHYDROXY-5-METHYL-7-TRIFLUOROMETHYL-2-(4-CHLOROPHENYL)-4,5,6,7-TETRAHYDROPYRAZOLO-[1.5-A]-PYRIMIDINE;ISOMER_1
Compound Number IV-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13ClF3N3O2
InChI InChI=1S/C14H13ClF3N3O2/c1-12(22)7-13(23,14(16,17)18)21-11(19-12)6-10(20-21)8-2-4-9(15)5-3-8/h2-6,19,22-23H,7H2,1H3
InChIKey JZAKRSGQIFUXDS-UHFFFAOYSA-N
Literature Reference Author E.E.EMELINA,A.A.PETROV,A.V.FIRSOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,277(2003)
Literature Reference DOI 10.1023/A:1025512924673
Molecular Weight 347.724 g/mol
Solvent DMSO-D6
Source File Reference UWMZ24052