| SpectraBase Compound ID | CFWY777FXDG |
|---|---|
| InChI | InChI=1S/C13H19Cl3O4/c14-13(15,16)9-20-12(18)7-6-11(17)19-8-10-4-2-1-3-5-10/h10H,1-9H2 |
| InChIKey | BRZJJHSFYXYVSL-UHFFFAOYSA-N |
| Mol Weight | 345.65 g/mol |
| Molecular Formula | C13H19Cl3O4 |
| Exact Mass | 344.034892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7J6DH66WTym |
|---|---|
| Name | Succinic acid, cyclohexylmethyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.034892188 u |
| Formula | C13H19Cl3O4 |
| InChI | InChI=1S/C13H19Cl3O4/c14-13(15,16)9-20-12(18)7-6-11(17)19-8-10-4-2-1-3-5-10/h10H,1-9H2 |
| InChIKey | BRZJJHSFYXYVSL-UHFFFAOYSA-N |
| Molecular Weight | 345.650 g/mol |
| SMILES | C(CC(OCC1CCCCC1)=O)C(OCC(Cl)(Cl)Cl)=O |