| SpectraBase Compound ID | 7vp0mj4WmpG |
|---|---|
| InChI | InChI=1S/C32H62O4/c1-4-6-8-10-12-13-14-17-21-25-29-35-31(33)27-23-19-15-16-20-24-28-32(34)36-30(3)26-22-18-11-9-7-5-2/h30H,4-29H2,1-3H3 |
| InChIKey | AYBBQRVTSNUXDS-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 | KtMcBRlBW3O |
|---|---|
| Name | Sebacic acid, 2-decyl dodecyl 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/c1-4-6-8-10-12-13-14-17-21-25-29-35-31(33)27-23-19-15-16-20-24-28-32(34)36-30(3)26-22-18-11-9-7-5-2/h30H,4-29H2,1-3H3 |
| InChIKey | AYBBQRVTSNUXDS-UHFFFAOYSA-N |
| Molecular Weight | 510.844 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCCCCCCC)=O)(OC(C)CCCCCCCC)=O |