| SpectraBase Compound ID | Bnjfp2hi9lp |
|---|---|
| InChI | InChI=1S/C18H22Cl4O4/c19-9-5-3-1-2-4-6-10-25-17(23)7-8-18(24)26-16-12-14(21)13(20)11-15(16)22/h11-12H,1-10H2 |
| InChIKey | GZCDARYEONVSMK-UHFFFAOYSA-N |
| Mol Weight | 444.2 g/mol |
| Molecular Formula | C18H22Cl4O4 |
| Exact Mass | 442.02722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51QIOvfDfRh |
|---|---|
| Name | Succinic acid, 8-chlorooctyl 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.027219984 u |
| Formula | C18H22Cl4O4 |
| InChI | InChI=1S/C18H22Cl4O4/c19-9-5-3-1-2-4-6-10-25-17(23)7-8-18(24)26-16-12-14(21)13(20)11-15(16)22/h11-12H,1-10H2 |
| InChIKey | GZCDARYEONVSMK-UHFFFAOYSA-N |
| Molecular Weight | 444.182 g/mol |
| SMILES | C(CC(OCCCCCCCCCl)=O)C(OC=1C(=CC(=C(C1)Cl)Cl)Cl)=O |