| SpectraBase Compound ID | Bq7ie1cMbPX |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-3-5-6-9-13-21-17(19)15-11-8-7-10-14(15)16(18)20-12-4-2/h4,14-15H,2-3,5-13H2,1H3 |
| InChIKey | MWYODJPGJNHGMK-UHFFFAOYSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 792esHQCJ1f |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, allyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-3-5-6-9-13-21-17(19)15-11-8-7-10-14(15)16(18)20-12-4-2/h4,14-15H,2-3,5-13H2,1H3 |
| InChIKey | MWYODJPGJNHGMK-UHFFFAOYSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C1(CCCCC1C(OCCCCCC)=O)C(=O)OCC=C |