| SpectraBase Compound ID | AJqvjXGeRa3 |
|---|---|
| InChI | InChI=1S/C22H42O5/c1-4-5-12-17-26-21(23)13-10-8-6-7-9-11-14-22(24)27-19-16-20(2)15-18-25-3/h20H,4-19H2,1-3H3 |
| InChIKey | FJBBZPLTEGGGIB-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 | 1BXah1s4szR |
|---|---|
| Name | Sebacic acid, 5-methoxy-3-methylpentyl pentyl 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/c1-4-5-12-17-26-21(23)13-10-8-6-7-9-11-14-22(24)27-19-16-20(2)15-18-25-3/h20H,4-19H2,1-3H3 |
| InChIKey | FJBBZPLTEGGGIB-UHFFFAOYSA-N |
| Molecular Weight | 386.573 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCC)=O)(OCCC(C)CCOC)=O |