| SpectraBase Compound ID | 3WzLrfVWuBv |
|---|---|
| InChI | InChI=1S/C23H40O4/c1-3-5-6-7-8-9-10-11-12-15-19-27-23(25)21-17-14-13-16-20(21)22(24)26-18-4-2/h4,20-21H,2-3,5-19H2,1H3 |
| InChIKey | WIGNXGQJIPTUFK-UHFFFAOYSA-N |
| Mol Weight | 380.6 g/mol |
| Molecular Formula | C23H40O4 |
| Exact Mass | 380.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K8TbGf3AFKQ |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, allyl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.292659764 u |
| Formula | C23H40O4 |
| InChI | InChI=1S/C23H40O4/c1-3-5-6-7-8-9-10-11-12-15-19-27-23(25)21-17-14-13-16-20(21)22(24)26-18-4-2/h4,20-21H,2-3,5-19H2,1H3 |
| InChIKey | WIGNXGQJIPTUFK-UHFFFAOYSA-N |
| Molecular Weight | 380.569 g/mol |
| SMILES | C1(CCCCC1C(OCCCCCCCCCCCC)=O)C(=O)OCC=C |