| SpectraBase Compound ID | 6x5ENZwIKiG |
|---|---|
| InChI | InChI=1S/C9H11Cl3O4/c1-2-5-15-7(13)3-4-8(14)16-6-9(10,11)12/h3-4H,2,5-6H2,1H3/b4-3+ |
| InChIKey | GQQOPVNABGMTHV-ONEGZZNKSA-N |
| Mol Weight | 289.54 g/mol |
| Molecular Formula | C9H11Cl3O4 |
| Exact Mass | 287.972292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9QyZAdU1rlD |
|---|---|
| Name | Fumaric acid, propyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.972291930 u |
| Formula | C9H11Cl3O4 |
| InChI | InChI=1S/C9H11Cl3O4/c1-2-5-15-7(13)3-4-8(14)16-6-9(10,11)12/h3-4H,2,5-6H2,1H3/b4-3+ |
| InChIKey | GQQOPVNABGMTHV-ONEGZZNKSA-N |
| Molecular Weight | 289.542 g/mol |
| SMILES | C(OCC(Cl)(Cl)Cl)(\C=C\C(OCCC)=O)=O |