| SpectraBase Compound ID | EV8OiYFPQE3 |
|---|---|
| InChI | InChI=1S/C14H9Cl3O4/c1-3-8(2)20-12(18)4-5-13(19)21-14-10(16)6-9(15)7-11(14)17/h1,4-8H,2H3/b5-4+ |
| InChIKey | OYOKCQOUIWZOIO-SNAWJCMRSA-N |
| Mol Weight | 347.58 g/mol |
| Molecular Formula | C14H9Cl3O4 |
| Exact Mass | 345.956642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DH269CEkvAH |
|---|---|
| Name | Fumaric acid, 2,4,6-trichlorophenyl but-3-yn-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.956641866 u |
| Formula | C14H9Cl3O4 |
| InChI | InChI=1S/C14H9Cl3O4/c1-3-8(2)20-12(18)4-5-13(19)21-14-10(16)6-9(15)7-11(14)17/h1,4-8H,2H3/b5-4+ |
| InChIKey | OYOKCQOUIWZOIO-SNAWJCMRSA-N |
| Molecular Weight | 347.581 g/mol |
| SMILES | C(\C=C\C(OC(C#C)C)=O)(OC1=C(C=C(C=C1Cl)Cl)Cl)=O |