![exo-5-Isopropyl-7-oxo-6-oxabicyclo[3.2.]octane-2-carboxylic acid](/api/spectrum/7IHm0RGgHmX/structure.png?h=300&w=458 "exo-5-Isopropyl-7-oxo-6-oxabicyclo[3.2.]octane-2-carboxylic acid")
| SpectraBase Compound ID | Jze3KBpLFxV |
|---|---|
| InChI | InChI=1S/C11H16O4/c1-6(2)11-4-3-7(9(12)13)8(5-11)10(14)15-11/h6-8H,3-5H2,1-2H3,(H,12,13)/t7-,8-,11-/m0/s1 InChI=1S/C11H16O4/c1-6(2)11-4-3-7(9(12)13)8(5-11)10(14)15-11/h6-8H,3-5H2,1-2H3,(H,12,13)/t7-,8-,11-/m1/s1 |
| InChIKey | IXNJPLJCFRKZMH-LAEOZQHASA-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 | 7IHm0RGgHmX |
|---|---|
| Name | exo-5-Isopropyl-7-oxo-6-oxabicyclo[3.2.]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/c1-6(2)11-4-3-7(9(12)13)8(5-11)10(14)15-11/h6-8H,3-5H2,1-2H3,(H,12,13)/t7-,8-,11-/m0/s1 |
| InChIKey | IXNJPLJCFRKZMH-LAEOZQHASA-N |
| Molecular Weight | 212.245 g/mol |
| SMILES | OC([C@@]1([C@]2(C(O[C@](CC1)(C(C)C)C2)=O)[H])[H])=O |
| Spectrum/Structure Validation Score (Raman) | 0.965112 |