| SpectraBase Compound ID | 84JYZZ4frxA |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-8(2)5(7(10)11)3-4-6(8)9/h5H,3-4H2,1-2H3,(H,10,11) |
| InChIKey | UNYGIBIUTSWEOE-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EwlbBv0whCN |
|---|---|
| Name | 2,2-Dimethyl-3-oxocyclopentanecarboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-8(2)5(7(10)11)3-4-6(8)9/h5H,3-4H2,1-2H3,(H,10,11) |
| InChIKey | UNYGIBIUTSWEOE-UHFFFAOYSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C1(=O)C(C)(C)C(C(=O)O)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974516 |