| SpectraBase Compound ID | IdEV204IDRg |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-3-5-6-7-8-9-10-13-17-25-21(23)19-15-12-11-14-18(19)20(22)24-16-4-2/h4,18-19H,2-3,5-17H2,1H3 |
| InChIKey | CBTDOECWCJSHTQ-UHFFFAOYSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Heu24UQERdW |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, allyl decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.261359635 u |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-3-5-6-7-8-9-10-13-17-25-21(23)19-15-12-11-14-18(19)20(22)24-16-4-2/h4,18-19H,2-3,5-17H2,1H3 |
| InChIKey | CBTDOECWCJSHTQ-UHFFFAOYSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C1(CCCCC1C(OCCCCCCCCCC)=O)C(=O)OCC=C |