![Dimethyl (1S,5S,6R,7R)-3,7-dihydroxybicyclo[3.3.0]octa-2-ene-2,6-dicarboxylate](/api/spectrum/5ecyUCQP5Nr/structure.png?h=300&w=458 "Dimethyl (1S,5S,6R,7R)-3,7-dihydroxybicyclo[3.3.0]octa-2-ene-2,6-dicarboxylate")
| SpectraBase Compound ID | 6hoI2tgp0jJ |
|---|---|
| InChI | InChI=1S/C12H16O6/c1-17-11(15)9-5-3-8(14)10(12(16)18-2)6(5)4-7(9)13/h5-7,9,13-14H,3-4H2,1-2H3/t5-,6-,7+,9+/m0/s1 |
| InChIKey | OKVLBTCUTUPYHZ-XZMZPDFPSA-N |
| Mol Weight | 256.25 g/mol |
| Molecular Formula | C12H16O6 |
| Exact Mass | 256.094688 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5ecyUCQP5Nr |
|---|---|
| Name | Dimethyl (1S,5S,6R,7R)-3,7-dihydroxybicyclo[3.3.0]octa-2-ene-2,6-dicarboxylate |
| Alternate Name(s) | Dimethyl (1R,2R,3aS,6aS)-2,5-dihydroxy-1,2,3,3a,6,6a-hexahydro-1,4-pentalenedicarboxylate Dimethyl (1R,2R,3aS,6aS)-2,5-dihydroxy-1,2,3,3a,6,6a-hexahydropentalene-1,4-dicarboxylate Dimethyl (1R,2R,3aS,6aS)-2,5-bis(oxidanyl)-1,2,3,3a,6,6a-hexahydropentalene-1,4-dicarboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16O6 |
| InChI | InChI=1S/C12H16O6/c1-17-11(15)9-5-3-8(14)10(12(16)18-2)6(5)4-7(9)13/h5-7,9,13-14H,3-4H2,1-2H3/t5-,6-,7+,9+/m0/s1 |
| InChIKey | OKVLBTCUTUPYHZ-XZMZPDFPSA-N |
| Molecular Weight | 256.254 g/mol |
| SMILES | O[C@]1([C@@]([C@@]2([C@@](C(=C(C2)O)C(=O)OC)(C1)[H])[H])(C(=O)OC)[H])[H] |
| SPLASH | splash10-05fr-0970000000-a1eb15711679c90530ea |
| Source of Spectrum | QC-9-164-5 |
| Wiley ID | 870389 |