| SpectraBase Spectrum ID |
KzloRkllby1 |
| Name |
Bicyclo[6.2.2]dodeca-8,10,11-triene-9-carboxylic acid, 4,5-dioxo-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.089208927 u |
| Formula |
C14H14O4 |
| InChI |
InChI=1S/C14H14O4/c1-18-14(17)11-8-9-2-4-10(11)5-7-13(16)12(15)6-3-9/h2,4,8H,3,5-7H2,1H3 |
| InChIKey |
OWBRKBWBJFLSID-UHFFFAOYSA-N |
| Molecular Weight |
246.262 g/mol |
| SMILES |
C1(C(=O)OC)=C2CCC(=O)C(CCC(=C1)C=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963467 |
![Bicyclo[6.2.2]dodeca-8,10,11-triene-9-carboxylic acid, 4,5-dioxo-, methyl ester](/api/spectrum/KzloRkllby1/structure.png?h=300&w=458 "Bicyclo[6.2.2]dodeca-8,10,11-triene-9-carboxylic acid, 4,5-dioxo-, methyl ester")
