![Bicyclo[2.2.2]octane-2-carboxylic acid](/api/spectrum/EPAPbGE7sR8/structure.png?h=300&w=458 "Bicyclo[2.2.2]octane-2-carboxylic acid")
| SpectraBase Compound ID | Kr9FlDTmBi3 |
|---|---|
| InChI | InChI=1S/C9H14O2/c10-9(11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2,(H,10,11) |
| InChIKey | PNKGHXVHKCJNBW-UHFFFAOYSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EPAPbGE7sR8 |
|---|---|
| Name | Bicyclo[2.2.2]octane-2-carboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c10-9(11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2,(H,10,11) |
| InChIKey | PNKGHXVHKCJNBW-UHFFFAOYSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | OC(C1CC2CCC1CC2)=O |
| Spectrum/Structure Validation Score (Raman) | 0.860179 |