| SpectraBase Compound ID | H8Cpb57dSxW |
|---|---|
| InChI | InChI=1S/C14H14Cl4O4/c1-2-21-10(19)5-3-4-6-11(20)22-14-9(16)7-8(15)12(17)13(14)18/h7H,2-6H2,1H3 |
| InChIKey | JKURKLWYBMMZBS-UHFFFAOYSA-N |
| Mol Weight | 388.1 g/mol |
| Molecular Formula | C14H14Cl4O4 |
| Exact Mass | 385.96462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6UkbUvTOytO |
|---|---|
| Name | Adipic acid, ethyl 2,3,4,6-tetrachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.964619727 u |
| Formula | C14H14Cl4O4 |
| InChI | InChI=1S/C14H14Cl4O4/c1-2-21-10(19)5-3-4-6-11(20)22-14-9(16)7-8(15)12(17)13(14)18/h7H,2-6H2,1H3 |
| InChIKey | JKURKLWYBMMZBS-UHFFFAOYSA-N |
| Molecular Weight | 388.074 g/mol |
| SMILES | C(CCCC(OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl)=O)C(OCC)=O |