| SpectraBase Compound ID | HQ4zSHVywqS |
|---|---|
| InChI | InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-15-17(20)16-24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3 |
| InChIKey | DMBAVJVECSKEPF-UHFFFAOYSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C19H36O5 |
| Exact Mass | 344.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LOXnZLl61kh |
|---|---|
| Name | 1,3-Dioctanoin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.256274254 u |
| Formula | C19H36O5 |
| InChI | InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-15-17(20)16-24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3 |
| InChIKey | DMBAVJVECSKEPF-UHFFFAOYSA-N |
| Molecular Weight | 344.492 g/mol |
| SMILES | C(C(COC(CCCCCCC)=O)O)OC(CCCCCCC)=O |