| SpectraBase Spectrum ID |
6T7C5IUYgNg |
| Name |
Dimethyl 1,4-dihydro-2,6-dimehtyl-4-(4',5'-dihydro-4',5'-dioxo-indeno[1,2-B]thiopyran-3'-yl)pyridine-3,5-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.093308504 u |
| Formula |
C23H19NO6S |
| InChI |
InChI=1S/C23H19NO6S/c1-10-15(22(27)29-3)17(16(11(2)24-10)23(28)30-4)14-9-31-21-13-8-6-5-7-12(13)19(25)18(21)20(14)26/h5-9,17,24H,1-4H3 |
| InChIKey |
YVGYAWATOOGPJU-UHFFFAOYSA-N |
| Molecular Weight |
437.466 g/mol |
| SMILES |
C12=C(SC=C(C2=O)C2C(=C(C)NC(=C2C(=O)OC)C)C(=O)OC)C=2C=CC=CC2C1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931776 |
![Dimethyl 1,4-dihydro-2,6-dimehtyl-4-(4',5'-dihydro-4',5'-dioxo-indeno[1,2-b]thiopyran-3'-yl)pyridine-3,5-dicarboxylate](/api/spectrum/6T7C5IUYgNg/structure.png?h=300&w=458 "Dimethyl 1,4-dihydro-2,6-dimehtyl-4-(4',5'-dihydro-4',5'-dioxo-indeno[1,2-b]thiopyran-3'-yl)pyridine-3,5-dicarboxylate")
