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2-[4-methyl-6-(trichloromethyl)-2-pyrimidinyl]-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
SpectraBase Compound ID LfOzQux07JN
InChI InChI=1S/C16H12Cl3F3N4O/c1-9-7-12(15(17,18)19)24-13(23-9)26-14(27,16(20,21)22)8-11(25-26)10-5-3-2-4-6-10/h2-7,27H,8H2,1H3
InChIKey DOQDGUMJCKYVMD-UHFFFAOYSA-N
Mol Weight 439.65 g/mol
Molecular Formula C16H12Cl3F3N4O
Exact Mass 438.002879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbtN58ei5pK
Name 2-[4-methyl-6-(trichloromethyl)-2-pyrimidinyl]-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
Alternate Name(s) 2-[4-methyl-6-(trichloromethyl)pyrimidin-2-yl]-5-phenyl-3-(trifluoromethyl)-2-pyrazolin-3-ol 2-[4-methyl-6-(trichloromethyl)pyrimidin-2-yl]-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12Cl3F3N4O
InChI InChI=1S/C16H12Cl3F3N4O/c1-9-7-12(15(17,18)19)24-13(23-9)26-14(27,16(20,21)22)8-11(25-26)10-5-3-2-4-6-10/h2-7,27H,8H2,1H3
InChIKey DOQDGUMJCKYVMD-UHFFFAOYSA-N
Molecular Weight 439.653 g/mol
SMILES OC1(N(c2nc(cc(n2)C(Cl)(Cl)Cl)C)N=C(C1)c1ccccc1)C(F)(F)F
SPLASH splash10-014i-0009200000-39d5be2434817d15f2b8
Source of Spectrum C5-2003-898-12
Wiley ID 1615556