![exo-7-oxo-5,8,8-Trimethyl-6-oxabicyclo[3.2.1]octane-2-carboxylic acid](/api/spectrum/J8bV8uoITQj/structure.png?h=300&w=458 "exo-7-oxo-5,8,8-Trimethyl-6-oxabicyclo[3.2.1]octane-2-carboxylic acid")
| SpectraBase Compound ID | Cokb9KEpTE1 |
|---|---|
| InChI | InChI=1S/C11H16O4/c1-10(2)7-6(8(12)13)4-5-11(10,3)15-9(7)14/h6-7H,4-5H2,1-3H3,(H,12,13)/t6-,7-,11-/m1/s1 InChI=1S/C11H16O4/c1-10(2)7-6(8(12)13)4-5-11(10,3)15-9(7)14/h6-7H,4-5H2,1-3H3,(H,12,13)/t6-,7-,11-/m0/s1 |
| InChIKey | OKZADOJIWSWECS-OPVBNTEQSA-N |
| Mol Weight | 212.24 g/mol |
| Molecular Formula | C11H16O4 |
| Exact Mass | 212.104859 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | J8bV8uoITQj |
|---|---|
| Name | exo-7-oxo-5,8,8-Trimethyl-6-oxabicyclo[3.2.1]octane-2-carboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.104858991 u |
| Formula | C11H16O4 |
| InChI | InChI=1S/C11H16O4/c1-10(2)7-6(8(12)13)4-5-11(10,3)15-9(7)14/h6-7H,4-5H2,1-3H3,(H,12,13)/t6-,7-,11-/m1/s1 |
| InChIKey | OKZADOJIWSWECS-OPVBNTEQSA-N |
| Molecular Weight | 212.245 g/mol |
| SMILES | OC([C@]1([C@@]2(C(O[C@](CC1)(C2(C)C)C)=O)[H])[H])=O |
| Spectrum/Structure Validation Score (Raman) | 0.976182 |