| SpectraBase Compound ID | ANLwEca9aSY |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-4-6-8-10-12-14-16-20(22)24-18-19(3)25-21(23)17-15-13-11-9-7-5-2/h19H,4-18H2,1-3H3 |
| InChIKey | SGRCVQDBWHCTIS-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 | KjV7rJDElZS |
|---|---|
| Name | Propane-1,2-diyl dinonanoate |
| 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/c1-4-6-8-10-12-14-16-20(22)24-18-19(3)25-21(23)17-15-13-11-9-7-5-2/h19H,4-18H2,1-3H3 |
| InChIKey | SGRCVQDBWHCTIS-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC |