| SpectraBase Compound ID | LqYkxpAOUff |
|---|---|
| InChI | InChI=1S/C11H15Cl3O4/c1-2-3-4-7-17-9(15)5-6-10(16)18-8-11(12,13)14/h5-6H,2-4,7-8H2,1H3/b6-5+ |
| InChIKey | CPZRBRIYEOEULK-AATRIKPKSA-N |
| Mol Weight | 317.6 g/mol |
| Molecular Formula | C11H15Cl3O4 |
| Exact Mass | 316.003592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1bRSWvU7Ntc |
|---|---|
| Name | Fumaric acid, pentyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.003592059 u |
| Formula | C11H15Cl3O4 |
| InChI | InChI=1S/C11H15Cl3O4/c1-2-3-4-7-17-9(15)5-6-10(16)18-8-11(12,13)14/h5-6H,2-4,7-8H2,1H3/b6-5+ |
| InChIKey | CPZRBRIYEOEULK-AATRIKPKSA-N |
| Molecular Weight | 317.596 g/mol |
| SMILES | C(OCC(Cl)(Cl)Cl)(\C=C\C(OCCCCC)=O)=O |