| SpectraBase Spectrum ID |
7tfSLR5IH5h |
| Name |
2,3,11,12-Tetramethoxy-5,9,14,14A-tetrahydro-6H-benzo[4,5]azepino[2,1-A]isoquinolin-8-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.173272904 u |
| Formula |
C22H25NO5 |
| InChI |
InChI=1S/C22H25NO5/c1-25-18-8-13-5-6-23-17(16(13)12-21(18)28-4)7-14-9-19(26-2)20(27-3)10-15(14)11-22(23)24/h8-10,12,17H,5-7,11H2,1-4H3 |
| InChIKey |
LKMYFYZGPFHIRG-UHFFFAOYSA-N |
| Molecular Weight |
383.444 g/mol |
| SMILES |
C12N(CCC=3C=C(C(=CC23)OC)OC)C(CC2=CC(=C(C=C2C1)OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955836 |
![2,3,11,12-Tetramethoxy-5,9,14,14a-tetrahydro-6H-benzo[4,5]azepino[2,1-a]isoquinolin-8-one](/api/spectrum/7tfSLR5IH5h/structure.png?h=300&w=458 "2,3,11,12-Tetramethoxy-5,9,14,14a-tetrahydro-6H-benzo[4,5]azepino[2,1-a]isoquinolin-8-one")
