| SpectraBase Compound ID | 2c9fr5eb8Ec |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-4-5-9(2,3)8(11)12-7-6-10/h10H,4-7H2,1-3H3 |
| InChIKey | SNAQVLPUIVSXOG-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 | HKkbWMDWpPu |
|---|---|
| Name | Pentanoic acid, 2,2-dimethyl-, 2-hydroxyethyl ester |
| 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/c1-4-5-9(2,3)8(11)12-7-6-10/h10H,4-7H2,1-3H3 |
| InChIKey | SNAQVLPUIVSXOG-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | C(=O)(C(C)(CCC)C)OCCO |