| SpectraBase Compound ID | 2vunagTLHkx |
|---|---|
| InChI | InChI=1S/C18H22Cl4O4/c1-2-25-14(23)9-7-5-3-4-6-8-10-15(24)26-18-16(21)12(19)11-13(20)17(18)22/h11H,2-10H2,1H3 |
| InChIKey | LHKFBWJSQXOUEW-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 | DM5cySgQv8c |
|---|---|
| Name | Sebacic acid, ethyl 2,3,5,6-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)26-18-16(21)12(19)11-13(20)17(18)22/h11H,2-10H2,1H3 |
| InChIKey | LHKFBWJSQXOUEW-UHFFFAOYSA-N |
| Molecular Weight | 444.182 g/mol |
| SMILES | C(CCCCC(OC1=C(C(=CC(=C1Cl)Cl)Cl)Cl)=O)CCCC(OCC)=O |