| SpectraBase Compound ID | LqupUQwDvJC |
|---|---|
| InChI | InChI=1S/C21H37ClO4/c1-2-3-4-5-6-7-8-9-12-16-25-20(23)18-13-10-11-14-19(18)21(24)26-17-15-22/h18-19H,2-17H2,1H3 |
| InChIKey | DXMZDAHEIVWOBD-UHFFFAOYSA-N |
| Mol Weight | 389.0 g/mol |
| Molecular Formula | C21H37ClO4 |
| Exact Mass | 388.238037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Ne4dPhwgRg |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.238037367 u |
| Formula | C21H37ClO4 |
| InChI | InChI=1S/C21H37ClO4/c1-2-3-4-5-6-7-8-9-12-16-25-20(23)18-13-10-11-14-19(18)21(24)26-17-15-22/h18-19H,2-17H2,1H3 |
| InChIKey | DXMZDAHEIVWOBD-UHFFFAOYSA-N |
| Molecular Weight | 388.976 g/mol |
| SMILES | C1CC(C(CC1)C(=O)OCCCl)C(OCCCCCCCCCCC)=O |