| SpectraBase Compound ID | CXhqkoALVfb |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-3-5-7-8-11-14-17-21-27-23(25)19-16-13-10-9-12-15-18-22(24)26-20-6-4-2/h11,14H,3-10,12-13,15-21H2,1-2H3/b14-11- |
| InChIKey | POOZEKMXNFQSNT-KAMYIIQDSA-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 | DCQW568D5wK |
|---|---|
| Name | Sebacic acid, butyl cis-non-3-enyl 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/c1-3-5-7-8-11-14-17-21-27-23(25)19-16-13-10-9-12-15-18-22(24)26-20-6-4-2/h11,14H,3-10,12-13,15-21H2,1-2H3/b14-11- |
| InChIKey | POOZEKMXNFQSNT-KAMYIIQDSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(CCCCCCCCC(OCC\C=C/CCCCC)=O)(OCCCC)=O |