| SpectraBase Compound ID | FWXK7YLLccs |
|---|---|
| InChI | InChI=1S/C17H20Cl4O4/c1-2-3-6-9-24-13(22)7-4-5-8-14(23)25-17-12(19)10-11(18)15(20)16(17)21/h10H,2-9H2,1H3 |
| InChIKey | ZBITWPQNVZHMSW-UHFFFAOYSA-N |
| Mol Weight | 430.2 g/mol |
| Molecular Formula | C17H20Cl4O4 |
| Exact Mass | 428.01157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43JP8LyIUQz |
|---|---|
| Name | Adipic acid, pentyl 2,3,4,6-tetrachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.011569920 u |
| Formula | C17H20Cl4O4 |
| InChI | InChI=1S/C17H20Cl4O4/c1-2-3-6-9-24-13(22)7-4-5-8-14(23)25-17-12(19)10-11(18)15(20)16(17)21/h10H,2-9H2,1H3 |
| InChIKey | ZBITWPQNVZHMSW-UHFFFAOYSA-N |
| Molecular Weight | 430.155 g/mol |
| SMILES | C(CCCC(OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl)=O)C(OCCCCC)=O |