| SpectraBase Spectrum ID |
9ARPpMy8RTO |
| Name |
4-Ethyl-2,3,4,5-tetrahydro-7-methyl-2,5-dioxo-pyrano[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 |
252.063388100 u |
| Formula |
C12H12O6 |
| InChI |
InChI=1S/C12H12O6/c1-3-6-8-7(4-5(2)17-11(8)15)18-12(16)9(6)10(13)14/h4,6,9H,3H2,1-2H3,(H,13,14) |
| InChIKey |
VXQZBFLPNFJIOA-UHFFFAOYSA-N |
| Molecular Weight |
252.222 g/mol |
| SMILES |
C12=C(C(C(C(O2)=O)C(=O)O)CC)C(OC(=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990784 |
![4-Ethyl-2,3,4,5-tetrahydro-7-methyl-2,5-dioxo-pyrano[4,3-b]pyran-3-carboxylic acid](/api/spectrum/9ARPpMy8RTO/structure.png?h=300&w=458 "4-Ethyl-2,3,4,5-tetrahydro-7-methyl-2,5-dioxo-pyrano[4,3-b]pyran-3-carboxylic acid")
