| SpectraBase Compound ID | 2dCqvDrYzZ7 |
|---|---|
| InChI | InChI=1S/C20H38O5/c1-4-5-15-24-19(21)12-10-8-6-7-9-11-13-20(22)25-17-18(2)14-16-23-3/h18H,4-17H2,1-3H3 |
| InChIKey | ZECWZISLSRGOPO-UHFFFAOYSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C20H38O5 |
| Exact Mass | 358.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LMHdbXOFFQa |
|---|---|
| Name | Sebacic acid, butyl 4-methoxy-2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.271924319 u |
| Formula | C20H38O5 |
| InChI | InChI=1S/C20H38O5/c1-4-5-15-24-19(21)12-10-8-6-7-9-11-13-20(22)25-17-18(2)14-16-23-3/h18H,4-17H2,1-3H3 |
| InChIKey | ZECWZISLSRGOPO-UHFFFAOYSA-N |
| Molecular Weight | 358.519 g/mol |
| SMILES | C(CCCCC(OCC(C)CCOC)=O)CCCC(OCCCC)=O |