| SpectraBase Spectrum ID |
1AdfJfXxxOH |
| Name |
2-(Ethoxycarbonyl)-6,7-dimethoxy-1-(2-oxopentyl)-1,2,3,4-tetrahydroisoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.188922968 u |
| Formula |
C19H27NO5 |
| InChI |
InChI=1S/C19H27NO5/c1-5-7-14(21)11-16-15-12-18(24-4)17(23-3)10-13(15)8-9-20(16)19(22)25-6-2/h10,12,16H,5-9,11H2,1-4H3 |
| InChIKey |
IFPVDGOWTLOVFI-UHFFFAOYSA-N |
| Molecular Weight |
349.427 g/mol |
| SMILES |
C1(N(CCC=2C=C(C(=CC12)OC)OC)C(=O)OCC)CC(=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968263 |
