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 |