| SpectraBase Compound ID | KqGCZinTBND |
|---|---|
| InChI | InChI=1S/C16H30O6/c1-12(11-16(19)21-4)9-10-22-14(13(2)17)7-5-6-8-15(18)20-3/h12-14,17H,5-11H2,1-4H3 |
| InChIKey | OIUKIGNDFDEKNQ-UHFFFAOYSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C16H30O6 |
| Exact Mass | 318.204239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6ho4zkL6UB |
|---|---|
| Name | Octanoic acid, 6-(4-carboxy-3-methylbutoxy)-7-hydroxy-, dimethyl ester, (-)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.204238680 u |
| Formula | C16H30O6 |
| InChI | InChI=1S/C16H30O6/c1-12(11-16(19)21-4)9-10-22-14(13(2)17)7-5-6-8-15(18)20-3/h12-14,17H,5-11H2,1-4H3 |
| InChIKey | OIUKIGNDFDEKNQ-UHFFFAOYSA-N |
| Molecular Weight | 318.410 g/mol |
| SMILES | C(OCCC(CC(OC)=O)C)(CCCCC(OC)=O)C(C)O |