| SpectraBase Compound ID | 1DzqFg7OXKe |
|---|---|
| InChI | InChI=1S/C15H23Cl3O4/c1-2-3-4-5-6-7-8-11-21-13(19)9-10-14(20)22-12-15(16,17)18/h9-10H,2-8,11-12H2,1H3/b10-9+ |
| InChIKey | JRFRJYDZGXWGQR-MDZDMXLPSA-N |
| Mol Weight | 373.7 g/mol |
| Molecular Formula | C15H23Cl3O4 |
| Exact Mass | 372.066192 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4MNcVh5mggB |
|---|---|
| Name | Fumaric acid, nonyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.066192317 u |
| Formula | C15H23Cl3O4 |
| InChI | InChI=1S/C15H23Cl3O4/c1-2-3-4-5-6-7-8-11-21-13(19)9-10-14(20)22-12-15(16,17)18/h9-10H,2-8,11-12H2,1H3/b10-9+ |
| InChIKey | JRFRJYDZGXWGQR-MDZDMXLPSA-N |
| Molecular Weight | 373.704 g/mol |
| SMILES | C(OCC(Cl)(Cl)Cl)(\C=C\C(OCCCCCCCCC)=O)=O |