| SpectraBase Compound ID | 7maa5xisDsJ |
|---|---|
| InChI | InChI=1S/C8H16O2/c1-6(2)4-7(3)5-8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10) |
| InChIKey | KTWWTCBUJPAASC-UHFFFAOYSA-N |
| Mol Weight | 144.21 g/mol |
| Molecular Formula | C8H16O2 |
| Exact Mass | 144.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9kaTSw2k6UK |
|---|---|
| Name | Mixture of dimethylhexanoic acids |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.115029753 u |
| Formula | C8H16O2 |
| InChI | InChI=1S/C8H16O2/c1-6(2)4-7(3)5-8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10) |
| InChIKey | KTWWTCBUJPAASC-UHFFFAOYSA-N |
| Molecular Weight | 144.214 g/mol |
| Nominal Mass | 144 u |
| SMILES | OC(CC(CC(C)C)C)=O |