| SpectraBase Compound ID | GkWeEJfgn0V |
|---|---|
| InChI | InChI=1S/C19H24Cl4O4/c1-2-3-4-5-8-11-26-15(24)9-6-7-10-16(25)27-19-14(21)12-13(20)17(22)18(19)23/h12H,2-11H2,1H3 |
| InChIKey | YMRJIUQPUXXBDV-UHFFFAOYSA-N |
| Mol Weight | 458.2 g/mol |
| Molecular Formula | C19H24Cl4O4 |
| Exact Mass | 456.04287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9IMoQQ92lrB |
|---|---|
| Name | Adipic acid, heptyl 2,3,4,6-tetrachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.042870049 u |
| Formula | C19H24Cl4O4 |
| InChI | InChI=1S/C19H24Cl4O4/c1-2-3-4-5-8-11-26-15(24)9-6-7-10-16(25)27-19-14(21)12-13(20)17(22)18(19)23/h12H,2-11H2,1H3 |
| InChIKey | YMRJIUQPUXXBDV-UHFFFAOYSA-N |
| Molecular Weight | 458.209 g/mol |
| SMILES | C(CCCC(OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl)=O)C(OCCCCCCC)=O |