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

*Links on SpectraBase are not permalinks.
Benzamide, N-[4-(1H-imidazol-1-ylmethyl)phenyl]-2-[[5-methyl-2-(1-methylethyl)phenoxy]methyl]-
SpectraBase Compound ID tqZPMinJCr
InChI InChI=1S/C28H29N3O2/c1-20(2)25-13-8-21(3)16-27(25)33-18-23-6-4-5-7-26(23)28(32)30-24-11-9-22(10-12-24)17-31-15-14-29-19-31/h4-16,19-20H,17-18H2,1-3H3,(H,30,32)
InChIKey AGZPYKPZKVXPRR-UHFFFAOYSA-N
Mol Weight 439.56 g/mol
Molecular Formula C28H29N3O2
Exact Mass 439.225977 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 HTH8MmzECnE
Name Benzamide, N-[4-(1H-imidazol-1-ylmethyl)phenyl]-2-[[5-methyl-2-(1-methylethyl)phenoxy]methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.225977184 u
Formula C28H29N3O2
InChI InChI=1S/C28H29N3O2/c1-20(2)25-13-8-21(3)16-27(25)33-18-23-6-4-5-7-26(23)28(32)30-24-11-9-22(10-12-24)17-31-15-14-29-19-31/h4-16,19-20H,17-18H2,1-3H3,(H,30,32)
InChIKey AGZPYKPZKVXPRR-UHFFFAOYSA-N
Molecular Weight 439.559 g/mol
SMILES C=1C=C(C(C(=O)NC2=CC=C(C=C2)CN2C=NC=C2)=CC1)COC1=CC(C)=CC=C1C(C)C