| SpectraBase Compound ID | Hj6dLGnw5j9 |
|---|---|
| InChI | InChI=1S/C28H54O4/c1-4-6-8-10-14-18-22-26(3)32-28(30)24-20-16-13-12-15-19-23-27(29)31-25-21-17-11-9-7-5-2/h26H,4-25H2,1-3H3 |
| InChIKey | VACCSDAXJOVJDZ-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 | AX1qfwx3mjh |
|---|---|
| Name | Sebacic acid, 2-decyl octyl 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/c1-4-6-8-10-14-18-22-26(3)32-28(30)24-20-16-13-12-15-19-23-27(29)31-25-21-17-11-9-7-5-2/h26H,4-25H2,1-3H3 |
| InChIKey | VACCSDAXJOVJDZ-UHFFFAOYSA-N |
| Molecular Weight | 454.736 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCCC)=O)(OC(C)CCCCCCCC)=O |