| SpectraBase Compound ID | LBxtuFZ6IhH |
|---|---|
| InChI | InChI=1S/C15H17Cl3O4/c1-3-9(2)8-21-13(19)4-5-14(20)22-15-11(17)6-10(16)7-12(15)18/h6-7,9H,3-5,8H2,1-2H3 |
| InChIKey | XKKLZQZWWLZRHC-UHFFFAOYSA-N |
| Mol Weight | 367.66 g/mol |
| Molecular Formula | C15H17Cl3O4 |
| Exact Mass | 366.019242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9MVyuFE3PL3 |
|---|---|
| Name | Succinic acid, 2,4,6-trichlorophenyl 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.019242123 u |
| Formula | C15H17Cl3O4 |
| InChI | InChI=1S/C15H17Cl3O4/c1-3-9(2)8-21-13(19)4-5-14(20)22-15-11(17)6-10(16)7-12(15)18/h6-7,9H,3-5,8H2,1-2H3 |
| InChIKey | XKKLZQZWWLZRHC-UHFFFAOYSA-N |
| Molecular Weight | 367.656 g/mol |
| SMILES | C(CC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OCC(CC)C)=O |