| SpectraBase Compound ID | 227xDczs5Wp |
|---|---|
| InChI | InChI=1S/C14H15Cl3O4/c1-2-3-8-20-11(18)6-7-12(19)21-14-10(16)5-4-9(15)13(14)17/h4-5H,2-3,6-8H2,1H3 |
| InChIKey | YKMTZAHFYZTRHM-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 | 7rW1jroNv9E |
|---|---|
| Name | Succinic acid, butyl 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/c1-2-3-8-20-11(18)6-7-12(19)21-14-10(16)5-4-9(15)13(14)17/h4-5H,2-3,6-8H2,1H3 |
| InChIKey | YKMTZAHFYZTRHM-UHFFFAOYSA-N |
| Molecular Weight | 353.629 g/mol |
| SMILES | C(C(OC1=C(C=CC(=C1Cl)Cl)Cl)=O)CC(OCCCC)=O |