| SpectraBase Compound ID | 1jZSM6W6bKe |
|---|---|
| InChI | InChI=1S/C9H14O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h7H,1-6H2,(H,11,12) |
| InChIKey | QKUBCBWCNZAGJK-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JMamzaMe1sY |
|---|---|
| Name | 3-(4-Oxocyclohexyl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.094294308 u |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h7H,1-6H2,(H,11,12) |
| InChIKey | QKUBCBWCNZAGJK-UHFFFAOYSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C(CCC1CCC(CC1)=O)(=O)O |