| SpectraBase Compound ID | FT1IqfR1e4E |
|---|---|
| InChI | InChI=1S/C13H11Cl3O4/c1-2-5-19-11(17)3-4-12(18)20-13-9(15)6-8(14)7-10(13)16/h3-4,6-7H,2,5H2,1H3/b4-3+ |
| InChIKey | QOWQPXIRHJLGBC-ONEGZZNKSA-N |
| Mol Weight | 337.59 g/mol |
| Molecular Formula | C13H11Cl3O4 |
| Exact Mass | 335.972292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9qDsiQdqx2b |
|---|---|
| Name | Fumaric acid, propyl 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.972291930 u |
| Formula | C13H11Cl3O4 |
| InChI | InChI=1S/C13H11Cl3O4/c1-2-5-19-11(17)3-4-12(18)20-13-9(15)6-8(14)7-10(13)16/h3-4,6-7H,2,5H2,1H3/b4-3+ |
| InChIKey | QOWQPXIRHJLGBC-ONEGZZNKSA-N |
| Molecular Weight | 337.586 g/mol |
| SMILES | C(\C=C\C(OCCC)=O)(OC1=C(C=C(C=C1Cl)Cl)Cl)=O |