| SpectraBase Compound ID | 9oh4ytGG9vE |
|---|---|
| InChI | InChI=1S/C14H15Cl3O4/c15-11-6-4-10(5-7-11)8-20-13(18)2-1-3-14(19)21-9-12(16)17/h4-7,12H,1-3,8-9H2 |
| InChIKey | ADVCWFNLFATVFI-UHFFFAOYSA-N |
| Mol Weight | 353.63 g/mol |
| Molecular Formula | C14H15Cl3O4 |
| Exact Mass | 352.003592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Q3JLXv9AIR |
|---|---|
| Name | Glutaric acid, 2,2-dichloroethyl 4-chlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.003592059 u |
| Formula | C14H15Cl3O4 |
| InChI | InChI=1S/C14H15Cl3O4/c15-11-6-4-10(5-7-11)8-20-13(18)2-1-3-14(19)21-9-12(16)17/h4-7,12H,1-3,8-9H2 |
| InChIKey | ADVCWFNLFATVFI-UHFFFAOYSA-N |
| Molecular Weight | 353.629 g/mol |
| SMILES | C(CCC(OCC(Cl)Cl)=O)C(OCC1=CC=C(C=C1)Cl)=O |