| SpectraBase Compound ID | CYVUJiGpn9I |
|---|---|
| InChI | InChI=1S/C32H62O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-23-26-30-36-32(34)28-25-22-19-18-21-24-27-31(33)35-29-6-4-2/h3-30H2,1-2H3 |
| InChIKey | SDOIKPHPLQMVHD-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 | FIm3PBN954N |
|---|---|
| Name | Sebacic acid, butyl octadecyl 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/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-23-26-30-36-32(34)28-25-22-19-18-21-24-27-31(33)35-29-6-4-2/h3-30H2,1-2H3 |
| InChIKey | SDOIKPHPLQMVHD-UHFFFAOYSA-N |
| Molecular Weight | 510.844 g/mol |
| SMILES | C(CCCCCC(OCCCCCCCCCCCCCCCCCC)=O)CCC(OCCCC)=O |