| SpectraBase Compound ID | IuQqgku6gop |
|---|---|
| InChI | InChI=1S/C26H42O4/c1-4-5-6-7-12-15-18-29-25(27)16-13-10-8-9-11-14-17-26(28)30-24-20-22(2)19-23(3)21-24/h19-21H,4-18H2,1-3H3 |
| InChIKey | LNOLUBQDBHQFQY-UHFFFAOYSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C26H42O4 |
| Exact Mass | 418.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HvhjiIDe8c |
|---|---|
| Name | Sebacic acid, 3,5-dimethylphenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.308309828 u |
| Formula | C26H42O4 |
| InChI | InChI=1S/C26H42O4/c1-4-5-6-7-12-15-18-29-25(27)16-13-10-8-9-11-14-17-26(28)30-24-20-22(2)19-23(3)21-24/h19-21H,4-18H2,1-3H3 |
| InChIKey | LNOLUBQDBHQFQY-UHFFFAOYSA-N |
| Molecular Weight | 418.618 g/mol |
| SMILES | C(CCCCCC(OC1=CC(C)=CC(C)=C1)=O)CCC(OCCCCCCCC)=O |