| SpectraBase Compound ID | DBolWRp1jEa |
|---|---|
| InChI | InChI=1S/C13H22Cl2O4/c1-2-3-6-9-18-12(16)7-4-5-8-13(17)19-10-11(14)15/h11H,2-10H2,1H3 |
| InChIKey | YRKPIUINHGBECT-UHFFFAOYSA-N |
| Mol Weight | 313.22 g/mol |
| Molecular Formula | C13H22Cl2O4 |
| Exact Mass | 312.089515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GUT0pzPFpQR |
|---|---|
| Name | Adipic acid, 2,2-dichloroethyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.089514584 u |
| Formula | C13H22Cl2O4 |
| InChI | InChI=1S/C13H22Cl2O4/c1-2-3-6-9-18-12(16)7-4-5-8-13(17)19-10-11(14)15/h11H,2-10H2,1H3 |
| InChIKey | YRKPIUINHGBECT-UHFFFAOYSA-N |
| Molecular Weight | 313.221 g/mol |
| SMILES | C(C(OCC(Cl)Cl)=O)CCCC(OCCCCC)=O |