| SpectraBase Compound ID | JdRQHfDrOZ5 |
|---|---|
| InChI | InChI=1S/C18H15Cl3O4/c19-13-10-14(20)18(15(21)11-13)25-17(23)7-6-16(22)24-9-8-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2 |
| InChIKey | DCKNWSSVFSPDAW-UHFFFAOYSA-N |
| Mol Weight | 401.67 g/mol |
| Molecular Formula | C18H15Cl3O4 |
| Exact Mass | 400.003592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GXd5EEiJBov |
|---|---|
| Name | Succinic acid, 2,4,6-trichlorophenyl phenethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.003592059 u |
| Formula | C18H15Cl3O4 |
| InChI | InChI=1S/C18H15Cl3O4/c19-13-10-14(20)18(15(21)11-13)25-17(23)7-6-16(22)24-9-8-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2 |
| InChIKey | DCKNWSSVFSPDAW-UHFFFAOYSA-N |
| Molecular Weight | 401.673 g/mol |
| SMILES | C(CC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OCCC1=CC=CC=C1)=O |