| SpectraBase Compound ID | EmCuQuujwUB |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-21(23)19-25-20(2)22/h3-19H2,1-2H3 |
| InChIKey | JGOLHUWGUSEARW-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C21H40O4 |
| Exact Mass | 356.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JePxc2vJPda |
|---|---|
| Name | Acetoxyacetic acid, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.292659764 u |
| Formula | C21H40O4 |
| InChI | InChI=1S/C21H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-21(23)19-25-20(2)22/h3-19H2,1-2H3 |
| InChIKey | JGOLHUWGUSEARW-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | CC(OCC(OCCCCCCCCCCCCCCCCC)=O)=O |