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3-Tert-butyl-N-(4-fluorobenzyl)-1-phenyl-1H-pyrazol-5-amine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Tert-butyl-N-(4-fluorobenzyl)-1-phenyl-1H-pyrazol-5-amine
SpectraBase Compound ID 3s2hXMvzINM
InChI InChI=1S/C20H22FN3/c1-20(2,3)18-13-19(22-14-15-9-11-16(21)12-10-15)24(23-18)17-7-5-4-6-8-17/h4-13,22H,14H2,1-3H3
InChIKey XUIUFFOQULJHLP-UHFFFAOYSA-N
Mol Weight 323.42 g/mol
Molecular Formula C20H22FN3
Exact Mass 323.179776 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 32DtxA8pPFO
Name 3-Tert-butyl-N-(4-fluorobenzyl)-1-phenyl-1H-pyrazol-5-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.179775883 u
Formula C20H22FN3
InChI InChI=1S/C20H22FN3/c1-20(2,3)18-13-19(22-14-15-9-11-16(21)12-10-15)24(23-18)17-7-5-4-6-8-17/h4-13,22H,14H2,1-3H3
InChIKey XUIUFFOQULJHLP-UHFFFAOYSA-N
Molecular Weight 323.415 g/mol
SMILES C=1(N(N=C(C1)C(C)(C)C)C=1C=CC=CC1)NCC=1C=CC(=CC1)F