| SpectraBase Compound ID | 8SfYksAn9Hp |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-3-5-7-9-10-11-12-13-17-21-27-23(25)19-15-14-18-22(24)26-20-16-8-6-4-2/h6,8H,3-5,7,9-21H2,1-2H3/b8-6+ |
| InChIKey | ZWARPTMKQWJFDV-SOFGYWHQSA-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 | GcNARy1dFMk |
|---|---|
| Name | Adipic acid, trans-hex-3-enyl undecyl 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/c1-3-5-7-9-10-11-12-13-17-21-27-23(25)19-15-14-18-22(24)26-20-16-8-6-4-2/h6,8H,3-5,7,9-21H2,1-2H3/b8-6+ |
| InChIKey | ZWARPTMKQWJFDV-SOFGYWHQSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(CCCC(OCC\C=C\CC)=O)C(OCCCCCCCCCCC)=O |