SpectraBase Spectrum ID |
Eqy2vmCfz92 |
Name |
2-[(2,2-Diphenyl-1-methylpropyl)imino]hexahydro-1H-azepine, monohydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
356.201926642 u |
Formula |
C22H29ClN2 |
InChI |
InChI=1S/C22H28N2.ClH/c1-18(24-21-16-10-5-11-17-23-21)22(2,19-12-6-3-7-13-19)20-14-8-4-9-15-20;/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,23,24);1H |
InChIKey |
OMMFKAHWLBBWRV-UHFFFAOYSA-N |
Molecular Weight |
356.941 g/mol |
SMILES |
Cl.N1CCCCC\C1=N/C(C)C(C=1C=CC=CC1)(C=1C=CC=CC1)C |
Spectrum/Structure Validation Score (Raman) |
0.994849 |