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

*Links on SpectraBase are not permalinks.
1-[(4-tert-butylphenyl)methyl]-2-[(naphthalen-2-yloxy)methyl]-1H-1,3-benzodiazole
SpectraBase Compound ID 67fTVW7bBpf
InChI InChI=1S/C29H28N2O/c1-29(2,3)24-15-12-21(13-16-24)19-31-27-11-7-6-10-26(27)30-28(31)20-32-25-17-14-22-8-4-5-9-23(22)18-25/h4-18H,19-20H2,1-3H3
InChIKey ZUKRNILMGWUUCP-UHFFFAOYSA-N
Mol Weight 420.56 g/mol
Molecular Formula C29H28N2O
Exact Mass 420.220164 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 KzUCNFmp2X6
Name 1-[(4-Tert-butylphenyl)methyl]-2-[(naphthalen-2-yloxy)methyl]-1H-1,3-benzodiazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.220163529 u
Formula C29H28N2O
InChI InChI=1S/C29H28N2O/c1-29(2,3)24-15-12-21(13-16-24)19-31-27-11-7-6-10-26(27)30-28(31)20-32-25-17-14-22-8-4-5-9-23(22)18-25/h4-18H,19-20H2,1-3H3
InChIKey ZUKRNILMGWUUCP-UHFFFAOYSA-N
Molecular Weight 420.556 g/mol
SMILES C1=CC=C2N(C(COC3=CC=C4C(=C3)C=CC=C4)=NC2=C1)CC1=CC=C(C=C1)C(C)(C)C