| SpectraBase Compound ID | ER6S1pv1eF4 |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-4-5-6-8-11-14-18(23-17(2)20)15-12-9-7-10-13-16-19(21)22-3/h18H,4-16H2,1-3H3 |
| InChIKey | GQGSHDDEEKTTDV-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ZGIgpHMi8J |
|---|---|
| Name | Methyl 9-acetoxyhexadecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.261359635 u |
| Formula | C19H36O4 |
| InChI | InChI=1S/C19H36O4/c1-4-5-6-8-11-14-18(23-17(2)20)15-12-9-7-10-13-16-19(21)22-3/h18H,4-16H2,1-3H3 |
| InChIKey | GQGSHDDEEKTTDV-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(CCCC(CCCCCCCC(OC)=O)OC(C)=O)CCC |