| SpectraBase Compound ID | JDjImOlyD33 |
|---|---|
| InChI | InChI=1S/C20H36O5/c1-4-5-6-13-16-24-19(22)14-11-9-7-8-10-12-15-20(23)25-18(3)17(2)21/h18H,4-16H2,1-3H3 |
| InChIKey | CJEAVJFRXUHXFR-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C20H36O5 |
| Exact Mass | 356.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 38qIIHqQVxu |
|---|---|
| Name | Sebacic acid, hexyl 3-oxobut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.256274254 u |
| Formula | C20H36O5 |
| InChI | InChI=1S/C20H36O5/c1-4-5-6-13-16-24-19(22)14-11-9-7-8-10-12-15-20(23)25-18(3)17(2)21/h18H,4-16H2,1-3H3 |
| InChIKey | CJEAVJFRXUHXFR-UHFFFAOYSA-N |
| Molecular Weight | 356.503 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCCC)=O)=O)(C(C)=O)C |