| SpectraBase Spectrum ID |
3fshL0pbJKT |
| Name |
3-Methyl-5-phenyl-1,2,4,5,8,9,10,11-octahydrobenzo[I][3]benzazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.198699809 u |
| Formula |
C21H25N |
| InChI |
InChI=1S/C21H25N/c1-22-14-13-20-18-10-6-5-9-17(18)11-12-19(20)21(15-22)16-7-3-2-4-8-16/h2-4,7-8,11-12,21H,5-6,9-10,13-15H2,1H3 |
| InChIKey |
WMGUNKSMNSQUNF-UHFFFAOYSA-N |
| SMILES |
C1=2C(=C3CCCCC3=CC2)CCN(CC1C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968257 |
![3-Methyl-5-phenyl-1,2,4,5,8,9,10,11-octahydrobenzo[i][3]benzazepine](/api/spectrum/3fshL0pbJKT/structure.png?h=300&w=458 "3-Methyl-5-phenyl-1,2,4,5,8,9,10,11-octahydrobenzo[i][3]benzazepine")
