| SpectraBase Compound ID | wztGroegja |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-2-3-4-14-21-28-24(26)19-12-7-5-6-8-13-20-25(27)29-22-15-18-23-16-10-9-11-17-23/h9-11,16-17H,2-8,12-15,18-22H2,1H3 |
| InChIKey | FOKNLCXBWODNGX-UHFFFAOYSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LExnGWafVIs |
|---|---|
| Name | Sebacic acid, hexyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.292659764 u |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-2-3-4-14-21-28-24(26)19-12-7-5-6-8-13-20-25(27)29-22-15-18-23-16-10-9-11-17-23/h9-11,16-17H,2-8,12-15,18-22H2,1H3 |
| InChIKey | FOKNLCXBWODNGX-UHFFFAOYSA-N |
| Molecular Weight | 404.591 g/mol |
| SMILES | C(CCCCCCC(OCCCC1=CC=CC=C1)=O)CC(OCCCCCC)=O |