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

*Links on SpectraBase are not permalinks.
1-{4-[(4-tert-butylphenoxy)methyl]benzoyl}hexahydro-1H-azepine
SpectraBase Compound ID 1imgF64iT9z
InChI InChI=1S/C24H31NO2/c1-24(2,3)21-12-14-22(15-13-21)27-18-19-8-10-20(11-9-19)23(26)25-16-6-4-5-7-17-25/h8-15H,4-7,16-18H2,1-3H3
InChIKey LJDXWYMIGOIHFS-UHFFFAOYSA-N
Mol Weight 365.52 g/mol
Molecular Formula C24H31NO2
Exact Mass 365.235479 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 883YRyg0lEE
Name 1-{4-[(4-Tert-butylphenoxy)methyl]benzoyl}hexahydro-1H-azepine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.235479240 u
Formula C24H31NO2
InChI InChI=1S/C24H31NO2/c1-24(2,3)21-12-14-22(15-13-21)27-18-19-8-10-20(11-9-19)23(26)25-16-6-4-5-7-17-25/h8-15H,4-7,16-18H2,1-3H3
InChIKey LJDXWYMIGOIHFS-UHFFFAOYSA-N
Molecular Weight 365.517 g/mol
SMILES C(N1CCCCCC1)(C=1C=CC(=CC1)COC1=CC=C(C(C)(C)C)C=C1)=O