| SpectraBase Compound ID | LVGK0gQATS3 |
|---|---|
| InChI | InChI=1S/C14H15Cl3O4/c1-2-20-13(18)5-3-4-6-14(19)21-12-8-10(16)9(15)7-11(12)17/h7-8H,2-6H2,1H3 |
| InChIKey | VDHPLFYECLQFAM-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 | Kwl0mgGmBBg |
|---|---|
| Name | Adipic acid, ethyl 2,4,5-trichlorophenyl 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/c1-2-20-13(18)5-3-4-6-14(19)21-12-8-10(16)9(15)7-11(12)17/h7-8H,2-6H2,1H3 |
| InChIKey | VDHPLFYECLQFAM-UHFFFAOYSA-N |
| Molecular Weight | 353.629 g/mol |
| SMILES | C(CCC(OC1=CC(=C(C=C1Cl)Cl)Cl)=O)CC(OCC)=O |