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3-Tert-butyl-1-phenyl-N-[4-(trifluoromethyl)benzyl]-1H-pyrazol-5-amine
SpectraBase Compound ID BChguy8bTej
InChI InChI=1S/C21H22F3N3/c1-20(2,3)18-13-19(27(26-18)17-7-5-4-6-8-17)25-14-15-9-11-16(12-10-15)21(22,23)24/h4-13,25H,14H2,1-3H3
InChIKey AOWULQZWGQVMCQ-UHFFFAOYSA-N
Mol Weight 373.42 g/mol
Molecular Formula C21H22F3N3
Exact Mass 373.176582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hm69chZqPp
Name 3-Tert-butyl-1-phenyl-N-[4-(trifluoromethyl)benzyl]-1H-pyrazol-5-amine
Comments Computed using HOSE algorithm
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Exact Mass 373.176582209 u
Formula C21H22F3N3
InChI InChI=1S/C21H22F3N3/c1-20(2,3)18-13-19(27(26-18)17-7-5-4-6-8-17)25-14-15-9-11-16(12-10-15)21(22,23)24/h4-13,25H,14H2,1-3H3
InChIKey AOWULQZWGQVMCQ-UHFFFAOYSA-N
Molecular Weight 373.423 g/mol
SMILES C=1(N(N=C(C1)C(C)(C)C)C=1C=CC=CC1)NCC=1C=CC(C(F)(F)F)=CC1