| SpectraBase Compound ID | INOMekytmYP |
|---|---|
| InChI | InChI=1S/C25H38O5/c1-2-3-4-5-10-13-20-29-24(27)14-11-8-6-7-9-12-15-25(28)30-23-18-16-22(21-26)17-19-23/h16-19,21H,2-15,20H2,1H3 |
| InChIKey | WGXXYWJCDLDGFT-UHFFFAOYSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C25H38O5 |
| Exact Mass | 418.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hu0d3x16dpc |
|---|---|
| Name | Sebacic acid, 4-formylphenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.271924319 u |
| Formula | C25H38O5 |
| InChI | InChI=1S/C25H38O5/c1-2-3-4-5-10-13-20-29-24(27)14-11-8-6-7-9-12-15-25(28)30-23-18-16-22(21-26)17-19-23/h16-19,21H,2-15,20H2,1H3 |
| InChIKey | WGXXYWJCDLDGFT-UHFFFAOYSA-N |
| Molecular Weight | 418.574 g/mol |
| SMILES | C(CCCCCCC(OC1=CC=C(C=O)C=C1)=O)CC(OCCCCCCCC)=O |