| SpectraBase Compound ID | K0vCOj7if98 |
|---|---|
| InChI | InChI=1S/C16H25Cl3O4/c1-2-3-4-5-6-7-8-9-12-22-14(20)10-11-15(21)23-13-16(17,18)19/h10-11H,2-9,12-13H2,1H3/b11-10+ |
| InChIKey | KZHVAYZESXTNDB-ZHACJKMWSA-N |
| Mol Weight | 387.73 g/mol |
| Molecular Formula | C16H25Cl3O4 |
| Exact Mass | 386.081842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HvqeQzdj84F |
|---|---|
| Name | Fumaric acid, decyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.081842381 u |
| Formula | C16H25Cl3O4 |
| InChI | InChI=1S/C16H25Cl3O4/c1-2-3-4-5-6-7-8-9-12-22-14(20)10-11-15(21)23-13-16(17,18)19/h10-11H,2-9,12-13H2,1H3/b11-10+ |
| InChIKey | KZHVAYZESXTNDB-ZHACJKMWSA-N |
| Molecular Weight | 387.731 g/mol |
| SMILES | C(OCC(Cl)(Cl)Cl)(\C=C\C(OCCCCCCCCCC)=O)=O |