| SpectraBase Spectrum ID |
5ZLlk4x4O6H |
| Name |
2-(9,10-Dimethoxy-4-oxo-1,3,4,6,7,11B-hexahydro-2H-pyrido[2,1-A]isoquinoline-2-yl)butyraldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.178358285 u |
| Formula |
C19H25NO4 |
| InChI |
InChI=1S/C19H25NO4/c1-4-12(11-21)14-7-16-15-10-18(24-3)17(23-2)8-13(15)5-6-20(16)19(22)9-14/h8,10-12,14,16H,4-7,9H2,1-3H3 |
| InChIKey |
YBRWOHWSNQLGEL-UHFFFAOYSA-N |
| Molecular Weight |
331.412 g/mol |
| SMILES |
C(C(CC)C1CC2N(CCC=3C=C(C(=CC23)OC)OC)C(C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981021 |
![2-(9,10-Dimethoxy-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-2-yl)butyraldehyde](/api/spectrum/5ZLlk4x4O6H/structure.png?h=300&w=458 "2-(9,10-Dimethoxy-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-2-yl)butyraldehyde")
