| SpectraBase Compound ID | 2CK1iTopuX0 |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-3-5-7-9-10-11-12-13-14-18-22-28-24(26)20-16-15-19-23(25)27-21-17-8-6-4-2/h6,8H,3-5,7,9-22H2,1-2H3/b8-6+ |
| InChIKey | LYBKXFISBNBJFV-SOFGYWHQSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C24H44O4 |
| Exact Mass | 396.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9nLffwE8VH |
|---|---|
| Name | Adipic acid, dodecyl trans-hex-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.323959893 u |
| Formula | C24H44O4 |
| InChI | InChI=1S/C24H44O4/c1-3-5-7-9-10-11-12-13-14-18-22-28-24(26)20-16-15-19-23(25)27-21-17-8-6-4-2/h6,8H,3-5,7,9-22H2,1-2H3/b8-6+ |
| InChIKey | LYBKXFISBNBJFV-SOFGYWHQSA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | C(CCCC(OCC\C=C\CC)=O)C(OCCCCCCCCCCCC)=O |