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

*Links on SpectraBase are not permalinks.
benzamide, 4-[(2-bromophenoxy)methyl]-N-[4-(3-methyl-1H-pyrazol-1-yl)phenyl]-
SpectraBase Compound ID 6TkY0aX5Xsu
InChI InChI=1S/C24H20BrN3O2/c1-17-14-15-28(27-17)21-12-10-20(11-13-21)26-24(29)19-8-6-18(7-9-19)16-30-23-5-3-2-4-22(23)25/h2-15H,16H2,1H3,(H,26,29)
InChIKey YMLAPMGZZLHIQA-UHFFFAOYSA-N
Mol Weight 462.35 g/mol
Molecular Formula C24H20BrN3O2
Exact Mass 461.07389 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 8whMGnrXkeb
Name Benzamide, 4-[(2-bromophenoxy)methyl]-N-[4-(3-methyl-1H-pyrazol-1-yl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.073889894 u
Formula C24H20BrN3O2
InChI InChI=1S/C24H20BrN3O2/c1-17-14-15-28(27-17)21-12-10-20(11-13-21)26-24(29)19-8-6-18(7-9-19)16-30-23-5-3-2-4-22(23)25/h2-15H,16H2,1H3,(H,26,29)
InChIKey YMLAPMGZZLHIQA-UHFFFAOYSA-N
Molecular Weight 462.347 g/mol
SMILES N(C(=O)C1=CC=C(COC2=C(Br)C=CC=C2)C=C1)C=1C=CC(N2N=C(C)C=C2)=CC1