| SpectraBase Compound ID | 4yhW9mPzypp |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-3-4-5-7(2)8(10)6-9(11)12/h7-8,10H,3-6H2,1-2H3,(H,11,12) |
| InChIKey | GUXUIBFKSWOPEY-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C9H18O3 |
| Exact Mass | 174.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FUj82NytFlf |
|---|---|
| Name | 3-Hydroxy-4-methyloctanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.125594437 u |
| Formula | C9H18O3 |
| InChI | InChI=1S/C9H18O3/c1-3-4-5-7(2)8(10)6-9(11)12/h7-8,10H,3-6H2,1-2H3,(H,11,12) |
| InChIKey | GUXUIBFKSWOPEY-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | C(CC(C(CCCC)C)O)(=O)O |