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3,4,5-Tris(4-tert-butylphenyl)-1-methyl-1H-pyrazole

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

3,4,5-Tris(4-tert-butylphenyl)-1-methyl-1H-pyrazole
SpectraBase Compound ID BUL0Zel5AFp
InChI InChI=1S/C34H42N2/c1-32(2,3)26-17-11-23(12-18-26)29-30(24-13-19-27(20-14-24)33(4,5)6)35-36(10)31(29)25-15-21-28(22-16-25)34(7,8)9/h11-22H,1-10H3
InChIKey FLEINIYLYGMLMW-UHFFFAOYSA-N
Mol Weight 478.7 g/mol
Molecular Formula C34H42N2
Exact Mass 478.334799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDFO5kjrkCV
Name 3,4,5-Tris(4-tert-butylphenyl)-1-methyl-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.334799360 u
Formula C34H42N2
InChI InChI=1S/C34H42N2/c1-32(2,3)26-17-11-23(12-18-26)29-30(24-13-19-27(20-14-24)33(4,5)6)35-36(10)31(29)25-15-21-28(22-16-25)34(7,8)9/h11-22H,1-10H3
InChIKey FLEINIYLYGMLMW-UHFFFAOYSA-N
Molecular Weight 478.724 g/mol
SMILES C=1(C(=NN(C1C1=CC=C(C(C)(C)C)C=C1)C)C1=CC=C(C(C)(C)C)C=C1)C=1C=CC(C(C)(C)C)=CC1