| SpectraBase Spectrum ID |
ItIXzDEKQ6H |
| Name |
2,3,4,5-Tetrahydro-4,7-dimethyl-2,5-dioxopyrano[4,3-B]pyran-3-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.047738036 u |
| Formula |
C11H10O6 |
| InChI |
InChI=1S/C11H10O6/c1-4-3-6-7(10(14)16-4)5(2)8(9(12)13)11(15)17-6/h3,5,8H,1-2H3,(H,12,13) |
| InChIKey |
SBVRVVGDJJNYPG-UHFFFAOYSA-N |
| Molecular Weight |
238.195 g/mol |
| SMILES |
C12=C(C(C(C(O2)=O)C(=O)O)C)C(OC(=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826419 |
![2,3,4,5-Tetrahydro-4,7-dimethyl-2,5-dioxopyrano[4,3-b]pyran-3-carboxylic acid](/api/spectrum/ItIXzDEKQ6H/structure.png?h=300&w=458 "2,3,4,5-Tetrahydro-4,7-dimethyl-2,5-dioxopyrano[4,3-b]pyran-3-carboxylic acid")
