| SpectraBase Spectrum ID |
Fd0RqxcTriB |
| Name |
2,3,10-Trimethoxy-6,8,13,13A-tetrahydro-5H-isoquinolino[2,1-B]isoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.167793602 u |
| Formula |
C20H23NO3 |
| InChI |
InChI=1S/C20H23NO3/c1-22-16-5-4-13-9-18-17-11-20(24-3)19(23-2)10-14(17)6-7-21(18)12-15(13)8-16/h4-5,8,10-11,18H,6-7,9,12H2,1-3H3 |
| InChIKey |
PTCKGHZCUIQESU-UHFFFAOYSA-N |
| Molecular Weight |
325.408 g/mol |
| SMILES |
C12N(CCC3=CC(=C(C=C23)OC)OC)CC2=C(C1)C=CC(=C2)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952355 |
![2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline](/api/spectrum/Fd0RqxcTriB/structure.png?h=300&w=458 "2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline")
