| SpectraBase Compound ID | 24bIgp30aYI |
|---|---|
| InChI | InChI=1S/C27H52O5/c1-4-5-6-7-8-11-14-17-22-31-26(28)18-15-12-9-10-13-16-19-27(29)32-24-21-25(2)20-23-30-3/h25H,4-24H2,1-3H3 |
| InChIKey | JCYZXLOTCPZWHJ-UHFFFAOYSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C27H52O5 |
| Exact Mass | 456.381475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5TdMTFyD8LQ |
|---|---|
| Name | Sebacic acid, decyl 5-methoxy-3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.381474769 u |
| Formula | C27H52O5 |
| InChI | InChI=1S/C27H52O5/c1-4-5-6-7-8-11-14-17-22-31-26(28)18-15-12-9-10-13-16-19-27(29)32-24-21-25(2)20-23-30-3/h25H,4-24H2,1-3H3 |
| InChIKey | JCYZXLOTCPZWHJ-UHFFFAOYSA-N |
| Molecular Weight | 456.708 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCCCCC)=O)(OCCC(C)CCOC)=O |