| SpectraBase Compound ID | F2HTMFG3sae |
|---|---|
| InChI | InChI=1S/C8H16O2/c1-4-6(2)5-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)/t6-,7-/m1/s1 |
| InChIKey | GMWSHXONQKXRHS-RNFRBKRXSA-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 | AUxpmSmHH8C |
|---|---|
| Name | (2R,4R)-2,4-Dimethylhexanoic acid |
| 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/c1-4-6(2)5-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)/t6-,7-/m1/s1 |
| InChIKey | GMWSHXONQKXRHS-RNFRBKRXSA-N |
| Molecular Weight | 144.214 g/mol |
| SMILES | C([C@@](C[C@@](CC)(C)[H])(C)[H])(=O)O |