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5-Methyl-2-[4-methyl-6-(trichloromethyl)-2-pyrimidinyl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
SpectraBase Compound ID 84NkHa3mmZx
InChI InChI=1S/C11H10Cl3F3N4O/c1-5-3-7(10(12,13)14)19-8(18-5)21-9(22,11(15,16)17)4-6(2)20-21/h3,22H,4H2,1-2H3
InChIKey AZUQGJXDPYRYQU-UHFFFAOYSA-N
Mol Weight 377.58 g/mol
Molecular Formula C11H10Cl3F3N4O
Exact Mass 375.987229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AWKCBgYR3zx
Name 5-Methyl-2-[4-methyl-6-(trichloromethyl)-2-pyrimidinyl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
Comments Computed using HOSE algorithm
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Exact Mass 375.987228546 u
Formula C11H10Cl3F3N4O
InChI InChI=1S/C11H10Cl3F3N4O/c1-5-3-7(10(12,13)14)19-8(18-5)21-9(22,11(15,16)17)4-6(2)20-21/h3,22H,4H2,1-2H3
InChIKey AZUQGJXDPYRYQU-UHFFFAOYSA-N
Molecular Weight 377.582 g/mol
SMILES C=1(N=C(C=C(N1)C(Cl)(Cl)Cl)C)N1N=C(CC1(C(F)(F)F)O)C