| SpectraBase Spectrum ID |
Kcn5CufG3ZU |
| Name |
3-Methoxy-5,6,7,9,14,14A-hexahydroisoquinolino[3,2-A][2]benzazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.162314299 u |
| Formula |
C19H21NO |
| InChI |
InChI=1S/C19H21NO/c1-21-17-8-9-18-15(11-17)7-4-10-20-13-16-6-3-2-5-14(16)12-19(18)20/h2-3,5-6,8-9,11,19H,4,7,10,12-13H2,1H3 |
| InChIKey |
NEJKCLCTAREPHX-UHFFFAOYSA-N |
| SMILES |
C12N(CCCC=3C2=CC=C(C3)OC)CC2=C(C1)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881102 |
![3-Methoxy-5,6,7,9,14,14a-hexahydroisoquinolino[3,2-a][2]benzazepine](/api/spectrum/Kcn5CufG3ZU/structure.png?h=300&w=458 "3-Methoxy-5,6,7,9,14,14a-hexahydroisoquinolino[3,2-a][2]benzazepine")
