| SpectraBase Compound ID | 8CfmrwQm8ex |
|---|---|
| InChI | InChI=1S/C27H52O4/c1-4-7-8-9-10-11-14-17-20-23-30-26(28)21-18-15-12-13-16-19-22-27(29)31-24-25(5-2)6-3/h25H,4-24H2,1-3H3 |
| InChIKey | PYXADAUJHRTBOL-UHFFFAOYSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C27H52O4 |
| Exact Mass | 440.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LC4EVUF70Zd |
|---|---|
| Name | Sebacic acid, 2-ethylbutyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.386560150 u |
| Formula | C27H52O4 |
| InChI | InChI=1S/C27H52O4/c1-4-7-8-9-10-11-14-17-20-23-30-26(28)21-18-15-12-13-16-19-22-27(29)31-24-25(5-2)6-3/h25H,4-24H2,1-3H3 |
| InChIKey | PYXADAUJHRTBOL-UHFFFAOYSA-N |
| Molecular Weight | 440.709 g/mol |
| SMILES | C(CCCCCC(OCC(CC)CC)=O)CCC(OCCCCCCCCCCC)=O |