| SpectraBase Compound ID | DgKUyYSHFJ0 |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-4-5-6-12-9(11)7(2)8(3)10/h7-8,10H,4-6H2,1-3H3 |
| InChIKey | LBEZBFLTUMLBMM-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 | 6lrfOsP9bVo |
|---|---|
| Name | Butyl 3-hydroxy-2-methylbutanoate |
| 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/c1-4-5-6-12-9(11)7(2)8(3)10/h7-8,10H,4-6H2,1-3H3 |
| InChIKey | LBEZBFLTUMLBMM-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | C(C(C(C)O)C)(=O)OCCCC |