| SpectraBase Spectrum ID |
EvQ7I1cfW7R |
| Name |
2H-Pyrano[4,3-B]pyridine-8-carboxylic acid, 1,3,4,5-tetrahydro-7-methyl-2,5-dioxo-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.079372518 u |
| Formula |
C12H13NO5 |
| InChI |
InChI=1S/C12H13NO5/c1-3-17-12(16)9-6(2)18-11(15)7-4-5-8(14)13-10(7)9/h3-5H2,1-2H3,(H,13,14) |
| InChIKey |
HEIUHUCIZUKHNY-UHFFFAOYSA-N |
| Molecular Weight |
251.238 g/mol |
| SMILES |
C1=2C(=C(C)OC(C2CCC(N1)=O)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88804 |
![2H-Pyrano[4,3-b]pyridine-8-carboxylic acid, 1,3,4,5-tetrahydro-7-methyl-2,5-dioxo-, ethyl ester](/api/spectrum/EvQ7I1cfW7R/structure.png?h=300&w=458 "2H-Pyrano[4,3-b]pyridine-8-carboxylic acid, 1,3,4,5-tetrahydro-7-methyl-2,5-dioxo-, ethyl ester")
