| SpectraBase Compound ID | DnlMpJHy7aO |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-4-5-6-7-10-13-16-19-26-22(24)17-14-11-8-9-12-15-18-23(25)27-20-21(2)3/h10,13,21H,4-9,11-12,14-20H2,1-3H3/b13-10- |
| InChIKey | PQOZJTJYSSTWAZ-RAXLEYEMSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C23H42O4 |
| Exact Mass | 382.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 24UezcWBi9e |
|---|---|
| Name | Sebacic acid, cis-non-3-enyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.308309828 u |
| Formula | C23H42O4 |
| InChI | InChI=1S/C23H42O4/c1-4-5-6-7-10-13-16-19-26-22(24)17-14-11-8-9-12-15-18-23(25)27-20-21(2)3/h10,13,21H,4-9,11-12,14-20H2,1-3H3/b13-10- |
| InChIKey | PQOZJTJYSSTWAZ-RAXLEYEMSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(CCCCCCCCC(OCC\C=C/CCCCC)=O)(OCC(C)C)=O |