| SpectraBase Compound ID | 2Ho7sy8KXyP |
|---|---|
| InChI | InChI=1S/C8H14O4/c1-5(2)4-7(8(10)11)12-6(3)9/h5,7H,4H2,1-3H3,(H,10,11) |
| InChIKey | IQAAMERVQHMVBU-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C8H14O4 |
| Exact Mass | 174.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2qzIxfHl99x |
|---|---|
| Name | 2-Hydroxyisocaproic acid, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.089208927 u |
| Formula | C8H14O4 |
| InChI | InChI=1S/C8H14O4/c1-5(2)4-7(8(10)11)12-6(3)9/h5,7H,4H2,1-3H3,(H,10,11) |
| InChIKey | IQAAMERVQHMVBU-UHFFFAOYSA-N |
| Molecular Weight | 174.196 g/mol |
| SMILES | CC(CC(C(O)=O)OC(C)=O)C |