| SpectraBase Compound ID | FSULYkIijAp |
|---|---|
| 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/h4H,2-3,5-21H2,1H3 |
| InChIKey | DXNXEXUFJODZPS-UHFFFAOYSA-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 | G2imqBXQG4T |
|---|---|
| Name | Sebacic acid, but-3-enyl nonyl 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/h4H,2-3,5-21H2,1H3 |
| InChIKey | DXNXEXUFJODZPS-UHFFFAOYSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(CCOC(CCCCCCCCC(OCCCCCCCCC)=O)=O)=C |