| SpectraBase Compound ID | 6MKzMNan2BY |
|---|---|
| InChI | InChI=1S/C27H52O4/c1-3-5-7-9-10-11-14-17-21-25-31-27(29)23-19-16-13-12-15-18-22-26(28)30-24-20-8-6-4-2/h3-25H2,1-2H3 |
| InChIKey | SPXDSDRGXICRHF-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 | I9uIZGha0M8 |
|---|---|
| Name | Sebacic acid, hexyl 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/c1-3-5-7-9-10-11-14-17-21-25-31-27(29)23-19-16-13-12-15-18-22-26(28)30-24-20-8-6-4-2/h3-25H2,1-2H3 |
| InChIKey | SPXDSDRGXICRHF-UHFFFAOYSA-N |
| Molecular Weight | 440.709 g/mol |
| SMILES | C(CCCCCC(OCCCCCC)=O)CCC(OCCCCCCCCCCC)=O |