| SpectraBase Compound ID | HrYa8X29hEO |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-4-7-14-19(6-3)18-25-21(23)16-13-11-9-8-10-12-15-20(22)24-17-5-2/h19H,4-18H2,1-3H3 |
| InChIKey | GZOLDSXOJBOJTL-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 | KEmivliIrgg |
|---|---|
| Name | Sebacic acid, 2-ethylhexyl propyl 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/c1-4-7-14-19(6-3)18-25-21(23)16-13-11-9-8-10-12-15-20(22)24-17-5-2/h19H,4-18H2,1-3H3 |
| InChIKey | GZOLDSXOJBOJTL-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | C(CCCCCCC(OCC(CCCC)CC)=O)CC(OCCC)=O |