| SpectraBase Compound ID | I07XnuESZDN |
|---|---|
| InChI | InChI=1S/C21H37Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27-19(25)15-16-20(26)28-18-21(22,23)24/h2-18H2,1H3 |
| InChIKey | DVQAQNRYQAAEAS-UHFFFAOYSA-N |
| Mol Weight | 459.9 g/mol |
| Molecular Formula | C21H37Cl3O4 |
| Exact Mass | 458.175743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RGjJ2R4jgm |
|---|---|
| Name | Succinic acid, pentadecyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.175742767 u |
| Formula | C21H37Cl3O4 |
| InChI | InChI=1S/C21H37Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27-19(25)15-16-20(26)28-18-21(22,23)24/h2-18H2,1H3 |
| InChIKey | DVQAQNRYQAAEAS-UHFFFAOYSA-N |
| Molecular Weight | 459.882 g/mol |
| SMILES | C(CCC(OCC(Cl)(Cl)Cl)=O)(OCCCCCCCCCCCCCCC)=O |