| SpectraBase Compound ID | 8qNdPfGLSbY |
|---|---|
| InChI | InChI=1S/C9H13Cl3O4/c1-2-15-7(13)4-3-5-8(14)16-6-9(10,11)12/h2-6H2,1H3 |
| InChIKey | HEIUDQJBMQGCNV-UHFFFAOYSA-N |
| Mol Weight | 291.56 g/mol |
| Molecular Formula | C9H13Cl3O4 |
| Exact Mass | 289.987942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9AfNekUk42B |
|---|---|
| Name | Glutaric acid, ethyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.987941995 u |
| Formula | C9H13Cl3O4 |
| InChI | InChI=1S/C9H13Cl3O4/c1-2-15-7(13)4-3-5-8(14)16-6-9(10,11)12/h2-6H2,1H3 |
| InChIKey | HEIUDQJBMQGCNV-UHFFFAOYSA-N |
| Molecular Weight | 291.558 g/mol |
| SMILES | C(COC(CCCC(OCC)=O)=O)(Cl)(Cl)Cl |