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4-Methyl-2-[5-hydroxy-3-phenyl-5-trichloromethyl-4,5-dihydro-1H-pyrazol-1-yl]-6-trifluoromethylpyrimidine
SpectraBase Compound ID KaYNUspryth
InChI InChI=1S/C16H12Cl3F3N4O/c1-9-7-12(15(20,21)22)24-13(23-9)26-14(27,16(17,18)19)8-11(25-26)10-5-3-2-4-6-10/h2-7,27H,8H2,1H3
InChIKey QGLBBFOOBDWOEP-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 IURZXGHw2D5
Name 4-Methyl-2-[5-hydroxy-3-phenyl-5-trichloromethyl-4,5-dihydro-1H-pyrazol-1-yl]-6-trifluoromethylpyrimidine
Alternate Name(s) 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-3-phenyl-5-(trichloromethyl)-4,5-dihydro-1H-pyrazol-5-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12Cl3F3N4O
InChI InChI=1S/C16H12Cl3F3N4O/c1-9-7-12(15(20,21)22)24-13(23-9)26-14(27,16(17,18)19)8-11(25-26)10-5-3-2-4-6-10/h2-7,27H,8H2,1H3
InChIKey QGLBBFOOBDWOEP-UHFFFAOYSA-N
Molecular Weight 439.653 g/mol
SMILES OC1(N(c2nc(cc(n2)C(F)(F)F)C)N=C(C1)c1ccccc1)C(Cl)(Cl)Cl
SPLASH splash10-00di-0019000000-f8136981ea1bbb60ae00
Source of Spectrum C5-2003-897-10
Wiley ID 1615561