| SpectraBase Compound ID | DPf2XqR5k2w |
|---|---|
| InChI | InChI=1S/C18H22Cl4O4/c1-2-25-14(23)9-7-5-3-4-6-8-10-15(24)26-13-11-12(19)16(20)18(22)17(13)21/h11H,2-10H2,1H3 |
| InChIKey | BYXCBDULMSLGNN-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 | DyTEB0wpc9u |
|---|---|
| Name | Sebacic acid, ethyl 2,3,4,5-tetrachlorophenyl 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/c1-2-25-14(23)9-7-5-3-4-6-8-10-15(24)26-13-11-12(19)16(20)18(22)17(13)21/h11H,2-10H2,1H3 |
| InChIKey | BYXCBDULMSLGNN-UHFFFAOYSA-N |
| Molecular Weight | 444.182 g/mol |
| SMILES | C(CCCCCC(OC1=CC(=C(C(=C1Cl)Cl)Cl)Cl)=O)CCC(OCC)=O |