| SpectraBase Compound ID | HU2g21cGdQN |
|---|---|
| InChI | InChI=1S/C14H15Cl3O4/c1-4-5-20-12(18)14(2,3)13(19)21-11-9(16)6-8(15)7-10(11)17/h6-7H,4-5H2,1-3H3 |
| InChIKey | VULSHHCHBHVVTO-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 | 7KuzDQ7KMVh |
|---|---|
| Name | Dimethylmalonic acid, propyl 2,4,6-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/c1-4-5-20-12(18)14(2,3)13(19)21-11-9(16)6-8(15)7-10(11)17/h6-7H,4-5H2,1-3H3 |
| InChIKey | VULSHHCHBHVVTO-UHFFFAOYSA-N |
| Molecular Weight | 353.629 g/mol |
| SMILES | C1=C(C=C(C(=C1Cl)OC(C(C)(C)C(OCCC)=O)=O)Cl)Cl |