| SpectraBase Compound ID | 5mcXRdGjsxb |
|---|---|
| InChI | InChI=1S/C22H42O5/c1-19(2)12-11-16-26-21(23)13-9-7-5-6-8-10-14-22(24)27-18-20(3)15-17-25-4/h19-20H,5-18H2,1-4H3 |
| InChIKey | DOUKKXLHMOXFNX-UHFFFAOYSA-N |
| Mol Weight | 386.6 g/mol |
| Molecular Formula | C22H42O5 |
| Exact Mass | 386.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GaOQZu9bHuj |
|---|---|
| Name | Sebacic acid, isohexyl 4-methoxy-2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.303224447 u |
| Formula | C22H42O5 |
| InChI | InChI=1S/C22H42O5/c1-19(2)12-11-16-26-21(23)13-9-7-5-6-8-10-14-22(24)27-18-20(3)15-17-25-4/h19-20H,5-18H2,1-4H3 |
| InChIKey | DOUKKXLHMOXFNX-UHFFFAOYSA-N |
| Molecular Weight | 386.573 g/mol |
| SMILES | C(CCCCC(OCC(C)CCOC)=O)CCCC(OCCCC(C)C)=O |