| SpectraBase Compound ID | FKK6ZyekGQp |
|---|---|
| InChI | InChI=1S/C16H19Cl3O4/c1-9(2)6-10(3)22-14(20)4-5-15(21)23-16-12(18)7-11(17)8-13(16)19/h7-10H,4-6H2,1-3H3 |
| InChIKey | BVPAJYRKUUXOEG-UHFFFAOYSA-N |
| Mol Weight | 381.68 g/mol |
| Molecular Formula | C16H19Cl3O4 |
| Exact Mass | 380.034892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EywP4AByfVJ |
|---|---|
| Name | Succinic acid, 2,4,6-trichlorophenyl 4-methylpent-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.034892188 u |
| Formula | C16H19Cl3O4 |
| InChI | InChI=1S/C16H19Cl3O4/c1-9(2)6-10(3)22-14(20)4-5-15(21)23-16-12(18)7-11(17)8-13(16)19/h7-10H,4-6H2,1-3H3 |
| InChIKey | BVPAJYRKUUXOEG-UHFFFAOYSA-N |
| Molecular Weight | 381.683 g/mol |
| SMILES | C(CC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC(C)CC(C)C)=O |