| SpectraBase Compound ID | 2GpxPPAZpJA |
|---|---|
| InChI | InChI=1S/C13H20Cl2O4/c1-2-3-4-5-9-18-12(16)7-6-8-13(17)19-10-11(14)15/h2-3,11H,4-10H2,1H3/b3-2+ |
| InChIKey | WHUQHUVOTKESSX-NSCUHMNNSA-N |
| Mol Weight | 311.21 g/mol |
| Molecular Formula | C13H20Cl2O4 |
| Exact Mass | 310.073865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dk9hnmGL4c2 |
|---|---|
| Name | Glutaric acid, hex-4-en-1-yl 2,2-dichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.073864520 u |
| Formula | C13H20Cl2O4 |
| InChI | InChI=1S/C13H20Cl2O4/c1-2-3-4-5-9-18-12(16)7-6-8-13(17)19-10-11(14)15/h2-3,11H,4-10H2,1H3/b3-2+ |
| InChIKey | WHUQHUVOTKESSX-NSCUHMNNSA-N |
| Molecular Weight | 311.205 g/mol |
| SMILES | C(CCC(OCC(Cl)Cl)=O)C(OCCC\C=C\C)=O |