| SpectraBase Compound ID | IT20WIgmDV0 |
|---|---|
| InChI | InChI=1S/C18H30O8/c1-14(19)23-11-9-7-5-4-6-8-10-18(22)25-13-17(26-16(3)21)12-24-15(2)20/h17H,4-13H2,1-3H3 |
| InChIKey | JLSRJLXSDCKHGC-UHFFFAOYSA-N |
| Mol Weight | 374.43 g/mol |
| Molecular Formula | C18H30O8 |
| Exact Mass | 374.194068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IpB571AgwJV |
|---|---|
| Name | 2,3-Dihydroxypropyl 9-hydroxynonanoate, triacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.194067918 u |
| Formula | C18H30O8 |
| InChI | InChI=1S/C18H30O8/c1-14(19)23-11-9-7-5-4-6-8-10-18(22)25-13-17(26-16(3)21)12-24-15(2)20/h17H,4-13H2,1-3H3 |
| InChIKey | JLSRJLXSDCKHGC-UHFFFAOYSA-N |
| Molecular Weight | 374.430 g/mol |
| SMILES | C(OC(=O)C)(COC(=O)CCCCCCCCOC(=O)C)COC(=O)C |