| SpectraBase Compound ID | 9WdFZDvZbXF |
|---|---|
| InChI | InChI=1S/C28H52O4/c1-3-5-7-8-9-10-11-12-13-16-19-22-26-32-28(30)24-21-18-15-14-17-20-23-27(29)31-25-6-4-2/h4H,2-3,5-26H2,1H3 |
| InChIKey | JNPXKACTWMDULZ-UHFFFAOYSA-N |
| Mol Weight | 452.7 g/mol |
| Molecular Formula | C28H52O4 |
| Exact Mass | 452.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4gu44r6LbMr |
|---|---|
| Name | Sebacic acid, but-3-enyl tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 452.386560150 u |
| Formula | C28H52O4 |
| InChI | InChI=1S/C28H52O4/c1-3-5-7-8-9-10-11-12-13-16-19-22-26-32-28(30)24-21-18-15-14-17-20-23-27(29)31-25-6-4-2/h4H,2-3,5-26H2,1H3 |
| InChIKey | JNPXKACTWMDULZ-UHFFFAOYSA-N |
| Molecular Weight | 452.720 g/mol |
| SMILES | C(CCOC(CCCCCCCCC(OCCCCCCCCCCCCCC)=O)=O)=C |