| SpectraBase Compound ID | LHJjqYxqxAK |
|---|---|
| InChI | InChI=1S/C8H12O3/c9-7-4-2-1-3-6(7)5-8(10)11/h6H,1-5H2,(H,10,11) |
| InChIKey | QRUYAODUCVMGQQ-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EyrUWTu29ZP |
|---|---|
| Name | 2-Oxocyclohexaneacetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c9-7-4-2-1-3-6(7)5-8(10)11/h6H,1-5H2,(H,10,11) |
| InChIKey | QRUYAODUCVMGQQ-UHFFFAOYSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | OC(=O)CC1CCCCC1=O |