| SpectraBase Compound ID | 5DRhZtAoBBn |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-3-5-15-21-17(19)13-11-9-7-6-8-10-12-16(18)20-14-4-2/h3,5H,4,6-15H2,1-2H3/b5-3+ |
| InChIKey | PUXQCYXUAPBDJR-HWKANZROSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IR0vT26oQb |
|---|---|
| Name | Sebacic acid, but-2-enyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-3-5-15-21-17(19)13-11-9-7-6-8-10-12-16(18)20-14-4-2/h3,5H,4,6-15H2,1-2H3/b5-3+ |
| InChIKey | PUXQCYXUAPBDJR-HWKANZROSA-N |
| SMILES | C(CCCCC(OC\C=C\C)=O)CCCC(OCCC)=O |