| SpectraBase Compound ID | Hu1UNXPg0Ff |
|---|---|
| InChI | InChI=1S/C17H19Cl3O4/c18-12-8-13(19)17(14(20)9-12)24-16(22)7-6-15(21)23-10-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2 |
| InChIKey | DNDGCGKUPLINLK-UHFFFAOYSA-N |
| Mol Weight | 393.69 g/mol |
| Molecular Formula | C17H19Cl3O4 |
| Exact Mass | 392.034892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6eszBXKUyY |
|---|---|
| Name | Succinic acid, cyclohexylmethyl 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.034892188 u |
| Formula | C17H19Cl3O4 |
| InChI | InChI=1S/C17H19Cl3O4/c18-12-8-13(19)17(14(20)9-12)24-16(22)7-6-15(21)23-10-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2 |
| InChIKey | DNDGCGKUPLINLK-UHFFFAOYSA-N |
| Molecular Weight | 393.694 g/mol |
| SMILES | C(CC(OCC1CCCCC1)=O)C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O |