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5,7-DIHYDROXY-5-METHYL-7-TRIFLUOROMETHYL-2-PHENYL-4,5,6,7-TETRAHYDROPYRAZOLO-[1.5-A]-PYRIMIDINE;ISOMER_1
SpectraBase Compound ID 1Usa0fgyilR
InChI InChI=1S/C14H14F3N3O2/c1-12(21)8-13(22,14(15,16)17)20-11(18-12)7-10(19-20)9-5-3-2-4-6-9/h2-7,18,21-22H,8H2,1H3
InChIKey IBZRXXKTALGGPS-UHFFFAOYSA-N
Mol Weight 313.28 g/mol
Molecular Formula C14H14F3N3O2
Exact Mass 313.103811 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9VdXIIUBW95
Name 5,7-DIHYDROXY-5-METHYL-7-TRIFLUOROMETHYL-2-PHENYL-4,5,6,7-TETRAHYDROPYRAZOLO-[1.5-A]-PYRIMIDINE;ISOMER_2
Compound Number IV-A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14F3N3O2
InChI InChI=1S/C14H14F3N3O2/c1-12(21)8-13(22,14(15,16)17)20-11(18-12)7-10(19-20)9-5-3-2-4-6-9/h2-7,18,21-22H,8H2,1H3
InChIKey IBZRXXKTALGGPS-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 313.279 g/mol
Solvent DMSO-D6
Source File Reference UWMZ24051