| SpectraBase Compound ID | JNLG9kvgkQH |
|---|---|
| InChI | InChI=1S/C32H62O4/c1-3-5-7-9-11-13-17-21-25-29-35-31(33)27-23-19-15-16-20-24-28-32(34)36-30-26-22-18-14-12-10-8-6-4-2/h3-30H2,1-2H3 |
| InChIKey | NZNNOBVNTDQUGT-UHFFFAOYSA-N |
| Mol Weight | 510.8 g/mol |
| Molecular Formula | C32H62O4 |
| Exact Mass | 510.46481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DbWDujQ7qGo |
|---|---|
| Name | Sebacic acid, diundecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 510.464810472 u |
| Formula | C32H62O4 |
| InChI | InChI=1S/C32H62O4/c1-3-5-7-9-11-13-17-21-25-29-35-31(33)27-23-19-15-16-20-24-28-32(34)36-30-26-22-18-14-12-10-8-6-4-2/h3-30H2,1-2H3 |
| InChIKey | NZNNOBVNTDQUGT-UHFFFAOYSA-N |
| Molecular Weight | 510.844 g/mol |
| SMILES | C(CCCCCC(OCCCCCCCCCCC)=O)CCC(OCCCCCCCCCCC)=O |