| SpectraBase Compound ID | FxXt52Lzfri |
|---|---|
| InChI | InChI=1S/C10H13Cl3O4/c1-7(2)5-16-8(14)3-4-9(15)17-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3/b4-3+ |
| InChIKey | VYCVEXWSKPJYKF-ONEGZZNKSA-N |
| Mol Weight | 303.57 g/mol |
| Molecular Formula | C10H13Cl3O4 |
| Exact Mass | 301.987942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ErFGq7oozX |
|---|---|
| Name | Fumaric acid, isobutyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.987941995 u |
| Formula | C10H13Cl3O4 |
| InChI | InChI=1S/C10H13Cl3O4/c1-7(2)5-16-8(14)3-4-9(15)17-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3/b4-3+ |
| InChIKey | VYCVEXWSKPJYKF-ONEGZZNKSA-N |
| Molecular Weight | 303.569 g/mol |
| SMILES | C(OCC(Cl)(Cl)Cl)(\C=C\C(OCC(C)C)=O)=O |