| SpectraBase Compound ID | EwSf0qyhGDo |
|---|---|
| InChI | InChI=1S/C27H52O4/c1-3-5-7-9-11-13-15-17-19-24-30-26(28)22-21-23-27(29)31-25-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3 |
| InChIKey | XJHMTCFSVRTWCP-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 | 5s2yTMFs5tw |
|---|---|
| Name | Glutaric acid, diundecyl 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/c1-3-5-7-9-11-13-15-17-19-24-30-26(28)22-21-23-27(29)31-25-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3 |
| InChIKey | XJHMTCFSVRTWCP-UHFFFAOYSA-N |
| Molecular Weight | 440.709 g/mol |
| SMILES | C(CCCCCCOC(CCCC(OCCCCCCCCCCC)=O)=O)CCCC |