| SpectraBase Compound ID | AWxaSKWo38K |
|---|---|
| InChI | InChI=1S/C14H15Cl3O4/c1-8(2)7-20-11(18)5-6-12(19)21-14-10(16)4-3-9(15)13(14)17/h3-4,8H,5-7H2,1-2H3 |
| InChIKey | DLAVXKZVZGRPFU-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 | 6vqBtX1ACuz |
|---|---|
| Name | Succinic acid, isobutyl 2,3,6-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/c1-8(2)7-20-11(18)5-6-12(19)21-14-10(16)4-3-9(15)13(14)17/h3-4,8H,5-7H2,1-2H3 |
| InChIKey | DLAVXKZVZGRPFU-UHFFFAOYSA-N |
| Molecular Weight | 353.629 g/mol |
| SMILES | C(C(OC1=C(C=CC(=C1Cl)Cl)Cl)=O)CC(OCC(C)C)=O |