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1-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-5-amine, tms
SpectraBase Compound ID HSCu18oqV4v
InChI InChI=1S/C18H20FN3Si/c1-23(2,3)21-18-13-17(14-7-5-4-6-8-14)20-22(18)16-11-9-15(19)10-12-16/h4-13,21H,1-3H3
InChIKey XXDDGEWFIOBVMF-UHFFFAOYSA-N
Mol Weight 325.46 g/mol
Molecular Formula C18H20FN3Si
Exact Mass 325.141052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JN3MMRRLyT6
Name 1-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-5-amine, tms
Comments Computed using HOSE algorithm
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Exact Mass 325.141052354 u
Formula C18H20FN3Si
InChI InChI=1S/C18H20FN3Si/c1-23(2,3)21-18-13-17(14-7-5-4-6-8-14)20-22(18)16-11-9-15(19)10-12-16/h4-13,21H,1-3H3
InChIKey XXDDGEWFIOBVMF-UHFFFAOYSA-N
Molecular Weight 325.462 g/mol
SMILES C=1(N[Si](C)(C)C)N(N=C(C1)C1=CC=CC=C1)C1=CC=C(C=C1)F