For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N-(4-Bromobenzyl)-3-tert-butyl-1-phenyl-1H-pyrazol-5-amine

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

N-(4-Bromobenzyl)-3-tert-butyl-1-phenyl-1H-pyrazol-5-amine
SpectraBase Compound ID 4lQ2pvacv91
InChI InChI=1S/C20H22BrN3/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 RTUABKKXYVQFHN-UHFFFAOYSA-N
Mol Weight 384.32 g/mol
Molecular Formula C20H22BrN3
Exact Mass 383.099711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JcziAnk5zAw
Name N-(4-Bromobenzyl)-3-tert-butyl-1-phenyl-1H-pyrazol-5-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.099710720 u
Formula C20H22BrN3
InChI InChI=1S/C20H22BrN3/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 RTUABKKXYVQFHN-UHFFFAOYSA-N
Molecular Weight 384.321 g/mol
SMILES C=1(N(N=C(C1)C(C)(C)C)C=1C=CC=CC1)NCC1=CC=C(C=C1)Br