| SpectraBase Compound ID | LTef38ya8JK |
|---|---|
| InChI | InChI=1S/C14H24Cl2O4/c1-11(2)6-5-9-19-13(17)7-3-4-8-14(18)20-10-12(15)16/h11-12H,3-10H2,1-2H3 |
| InChIKey | PFPKASMIBHPKPN-UHFFFAOYSA-N |
| Mol Weight | 327.25 g/mol |
| Molecular Formula | C14H24Cl2O4 |
| Exact Mass | 326.105165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GWdpqoweZny |
|---|---|
| Name | Adipic acid, 2,2-dichloroethyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.105164649 u |
| Formula | C14H24Cl2O4 |
| InChI | InChI=1S/C14H24Cl2O4/c1-11(2)6-5-9-19-13(17)7-3-4-8-14(18)20-10-12(15)16/h11-12H,3-10H2,1-2H3 |
| InChIKey | PFPKASMIBHPKPN-UHFFFAOYSA-N |
| Molecular Weight | 327.248 g/mol |
| SMILES | C(C(OCC(Cl)Cl)=O)CCCC(OCCCC(C)C)=O |