![Bicyclo[7.2.2]trideca-1(11),9,12-triene-10,11-dicarboxylic acid dimethyl ester](/api/spectrum/CJTHAJwrUcj/structure.png?h=300&w=458 "Bicyclo[7.2.2]trideca-1(11),9,12-triene-10,11-dicarboxylic acid dimethyl ester")
| SpectraBase Compound ID | 9XAh4KTSHTe |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-20-16(18)14-12-8-6-4-3-5-7-9-13(11-10-12)15(14)17(19)21-2/h10-11H,3-9H2,1-2H3 |
| InChIKey | GVVRLOSVQYOQMJ-UHFFFAOYSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJTHAJwrUcj |
|---|---|
| Name | Bicyclo[7.2.2]trideca-1(11),9,12-triene-10,11-dicarboxylic acid dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-20-16(18)14-12-8-6-4-3-5-7-9-13(11-10-12)15(14)17(19)21-2/h10-11H,3-9H2,1-2H3 |
| InChIKey | GVVRLOSVQYOQMJ-UHFFFAOYSA-N |
| SMILES | C=1(C(C(=O)OC)=C2CCCCCCCC1C=C2)C(=O)OC |