| SpectraBase Spectrum ID |
1qY4aE4sfC |
| Name |
Dimethyl 10-methyl-4-oxo-2-(phenylthio)-4,6,11,11A-tetrahydro-1H-pyrido[1,2-B]isoquinoline-7,8-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.129694014 u |
| Formula |
C24H23NO5S |
| InChI |
InChI=1S/C24H23NO5S/c1-14-9-19(23(27)29-2)22(24(28)30-3)20-13-25-15(11-18(14)20)10-17(12-21(25)26)31-16-7-5-4-6-8-16/h4-9,12,15H,10-11,13H2,1-3H3 |
| InChIKey |
PNUROUXBUPQJKN-UHFFFAOYSA-N |
| Molecular Weight |
437.510 g/mol |
| SMILES |
C1(N2C(CC(=C1)SC=1C=CC=CC1)CC1=C(C2)C(=C(C(=O)OC)C=C1C)C(=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925856 |
![Dimethyl 10-methyl-4-oxo-2-(phenylthio)-4,6,11,11a-tetrahydro-1H-pyrido[1,2-b]isoquinoline-7,8-dicarboxylate](/api/spectrum/1qY4aE4sfC/structure.png?h=300&w=458 "Dimethyl 10-methyl-4-oxo-2-(phenylthio)-4,6,11,11a-tetrahydro-1H-pyrido[1,2-b]isoquinoline-7,8-dicarboxylate")
