| SpectraBase Compound ID | CVq71NW3k44 |
|---|---|
| InChI | InChI=1S/C17H12Cl4O4/c18-10-4-11(19)7-14(6-10)24-16(22)2-1-3-17(23)25-15-8-12(20)5-13(21)9-15/h4-9H,1-3H2 |
| InChIKey | UFVRBLKKJRHIOS-UHFFFAOYSA-N |
| Mol Weight | 422.1 g/mol |
| Molecular Formula | C17H12Cl4O4 |
| Exact Mass | 419.94897 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K03ymjgtSmA |
|---|---|
| Name | Glutaric acid, di(3,5-dichlorophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 419.948969662 u |
| Formula | C17H12Cl4O4 |
| InChI | InChI=1S/C17H12Cl4O4/c18-10-4-11(19)7-14(6-10)24-16(22)2-1-3-17(23)25-15-8-12(20)5-13(21)9-15/h4-9H,1-3H2 |
| InChIKey | UFVRBLKKJRHIOS-UHFFFAOYSA-N |
| Molecular Weight | 422.091 g/mol |
| SMILES | C1=C(C=C(C=C1Cl)OC(CCCC(OC1=CC(=CC(=C1)Cl)Cl)=O)=O)Cl |