| SpectraBase Compound ID | HnF8tmC3IGv |
|---|---|
| InChI | InChI=1S/C16H19Cl3O4/c1-10(2)8-22-15(20)4-3-5-16(21)23-9-12-13(18)6-11(17)7-14(12)19/h6-7,10H,3-5,8-9H2,1-2H3 |
| InChIKey | UHTIZMURXGRXOI-UHFFFAOYSA-N |
| Mol Weight | 381.68 g/mol |
| Molecular Formula | C16H19Cl3O4 |
| Exact Mass | 380.034892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7KyQdv1wfZ1 |
|---|---|
| Name | Glutaric acid, isobutyl 2,4,6-trichlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.034892188 u |
| Formula | C16H19Cl3O4 |
| InChI | InChI=1S/C16H19Cl3O4/c1-10(2)8-22-15(20)4-3-5-16(21)23-9-12-13(18)6-11(17)7-14(12)19/h6-7,10H,3-5,8-9H2,1-2H3 |
| InChIKey | UHTIZMURXGRXOI-UHFFFAOYSA-N |
| Molecular Weight | 381.683 g/mol |
| SMILES | C(OCC=1C(Cl)=CC(=CC1Cl)Cl)(=O)CCCC(OCC(C)C)=O |