| SpectraBase Compound ID | HjRRllYKkrj |
|---|---|
| InChI | InChI=1S/C28H54O4/c1-4-7-8-9-10-13-16-19-24-31-27(29)22-17-14-11-12-15-18-23-28(30)32-25-26(20-5-2)21-6-3/h26H,4-25H2,1-3H3 |
| InChIKey | MVWQGTMEWQABIP-UHFFFAOYSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C28H54O4 |
| Exact Mass | 454.40221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7MLvIb9pl2y |
|---|---|
| Name | Sebacic acid, decyl 2-propylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.402210215 u |
| Formula | C28H54O4 |
| InChI | InChI=1S/C28H54O4/c1-4-7-8-9-10-13-16-19-24-31-27(29)22-17-14-11-12-15-18-23-28(30)32-25-26(20-5-2)21-6-3/h26H,4-25H2,1-3H3 |
| InChIKey | MVWQGTMEWQABIP-UHFFFAOYSA-N |
| Molecular Weight | 454.736 g/mol |
| SMILES | C(CCCCCCCC(OCC(CCC)CCC)=O)C(OCCCCCCCCCC)=O |