| SpectraBase Compound ID | 5Uxl7nTMr6I |
|---|---|
| InChI | InChI=1S/C18H31Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-14-24-16(22)12-13-17(23)25-15-18(19,20)21/h2-15H2,1H3 |
| InChIKey | BBLDVAZHTUMKSA-UHFFFAOYSA-N |
| Mol Weight | 417.8 g/mol |
| Molecular Formula | C18H31Cl3O4 |
| Exact Mass | 416.128793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5lkIb3fQoWA |
|---|---|
| Name | Succinic acid, dodecyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.128792574 u |
| Formula | C18H31Cl3O4 |
| InChI | InChI=1S/C18H31Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-14-24-16(22)12-13-17(23)25-15-18(19,20)21/h2-15H2,1H3 |
| InChIKey | BBLDVAZHTUMKSA-UHFFFAOYSA-N |
| Molecular Weight | 417.801 g/mol |
| SMILES | C(CCC(OCC(Cl)(Cl)Cl)=O)(OCCCCCCCCCCCC)=O |