| SpectraBase Compound ID | INzTGHNQ4Hx |
|---|---|
| InChI | InChI=1S/C8H16O3/c1-6(2)5-7(10-3)8(9)11-4/h6-7H,5H2,1-4H3 |
| InChIKey | MRITUNXBFHKLSY-UHFFFAOYSA-N |
| Mol Weight | 160.21 g/mol |
| Molecular Formula | C8H16O3 |
| Exact Mass | 160.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ia1OugrwU49 |
|---|---|
| Name | 2-Hydroxyisocaproic acid, methyl ether, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.109944372 u |
| Formula | C8H16O3 |
| InChI | InChI=1S/C8H16O3/c1-6(2)5-7(10-3)8(9)11-4/h6-7H,5H2,1-4H3 |
| InChIKey | MRITUNXBFHKLSY-UHFFFAOYSA-N |
| Molecular Weight | 160.213 g/mol |
| SMILES | CC(CC(C(OC)=O)OC)C |