| SpectraBase Compound ID | 6e3ebWZFI1V |
|---|---|
| InChI | InChI=1S/C30H58O4/c1-4-6-8-10-11-12-13-16-19-23-27-33-29(31)25-21-17-14-15-18-22-26-30(32)34-28(3)24-20-9-7-5-2/h28H,4-27H2,1-3H3 |
| InChIKey | KRQMRKNKWVUUGU-UHFFFAOYSA-N |
| Mol Weight | 482.8 g/mol |
| Molecular Formula | C30H58O4 |
| Exact Mass | 482.43351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FGw6P7MDLjk |
|---|---|
| Name | Sebacic acid, dodecyl 2-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 482.433510344 u |
| Formula | C30H58O4 |
| InChI | InChI=1S/C30H58O4/c1-4-6-8-10-11-12-13-16-19-23-27-33-29(31)25-21-17-14-15-18-22-26-30(32)34-28(3)24-20-9-7-5-2/h28H,4-27H2,1-3H3 |
| InChIKey | KRQMRKNKWVUUGU-UHFFFAOYSA-N |
| Molecular Weight | 482.790 g/mol |
| SMILES | C(CCCCCCC(OC(C)CCCCCC)=O)CC(OCCCCCCCCCCCC)=O |