| SpectraBase Compound ID | AxoJe1c13pt |
|---|---|
| InChI | InChI=1S/C16H28Cl2O4/c1-2-3-4-5-6-9-12-21-15(19)10-7-8-11-16(20)22-13-14(17)18/h14H,2-13H2,1H3 |
| InChIKey | FVTKGENJJVDTOL-UHFFFAOYSA-N |
| Mol Weight | 355.3 g/mol |
| Molecular Formula | C16H28Cl2O4 |
| Exact Mass | 354.136465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJRVF9O8db8 |
|---|---|
| Name | Adipic acid, 2,2-dichloroethyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.136464778 u |
| Formula | C16H28Cl2O4 |
| InChI | InChI=1S/C16H28Cl2O4/c1-2-3-4-5-6-9-12-21-15(19)10-7-8-11-16(20)22-13-14(17)18/h14H,2-13H2,1H3 |
| InChIKey | FVTKGENJJVDTOL-UHFFFAOYSA-N |
| Molecular Weight | 355.302 g/mol |
| SMILES | C(C(OCC(Cl)Cl)=O)CCCC(OCCCCCCCC)=O |