| SpectraBase Compound ID | 8cewLGq55Tf |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-9(2,3)7(10)5-4-6-8(11)12/h4-6H2,1-3H3,(H,11,12) |
| InChIKey | SUGPUUGENXAWCC-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9dKOLzefrIz |
|---|---|
| Name | 6,6-Dimethyl-5-oxoheptanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-9(2,3)7(10)5-4-6-8(11)12/h4-6H2,1-3H3,(H,11,12) |
| InChIKey | SUGPUUGENXAWCC-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(C(=O)CCCC(=O)O)(C)(C)C |