| SpectraBase Spectrum ID |
8lbBzqO7rJQ |
| Name |
11,12-Dimethoxy-5,6,8,9,14,14A-hexahydroisoquinolino[1,2-B][3]benzazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.172878983 u |
| Formula |
C20H23NO2 |
| InChI |
InChI=1S/C20H23NO2/c1-22-19-12-15-8-10-21-9-7-14-5-3-4-6-17(14)18(21)11-16(15)13-20(19)23-2/h3-6,12-13,18H,7-11H2,1-2H3 |
| InChIKey |
AFNIQIMSBZTIMP-UHFFFAOYSA-N |
| Molecular Weight |
309.409 g/mol |
| SMILES |
C12N(CCC=3C(C2)=CC(=C(C3)OC)OC)CCC2=C1C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917142 |
![11,12-Dimethoxy-5,6,8,9,14,14A-hexahydroisoquinolino[1,2-B][3]benzazepine](/api/spectrum/8lbBzqO7rJQ/structure.png?h=300&w=458 "11,12-Dimethoxy-5,6,8,9,14,14A-hexahydroisoquinolino[1,2-B][3]benzazepine")
