| SpectraBase Compound ID | KgWhfzmq6WW |
|---|---|
| InChI | InChI=1S/C7H14O4/c1-5(2)7(10)11-4-6(9)3-8/h5-6,8-9H,3-4H2,1-2H3 |
| InChIKey | OJFADTZZAJISQP-UHFFFAOYSA-N |
| Mol Weight | 162.18 g/mol |
| Molecular Formula | C7H14O4 |
| Exact Mass | 162.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C9SUfVcMTjH |
|---|---|
| Name | 2,3-Dihydroxypropyl isobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.089208927 u |
| Formula | C7H14O4 |
| InChI | InChI=1S/C7H14O4/c1-5(2)7(10)11-4-6(9)3-8/h5-6,8-9H,3-4H2,1-2H3 |
| InChIKey | OJFADTZZAJISQP-UHFFFAOYSA-N |
| Molecular Weight | 162.185 g/mol |
| SMILES | C(O)C(O)COC(=O)C(C)C |