| SpectraBase Compound ID | DA9hDB8hZFt |
|---|---|
| InChI | InChI=1S/C16H11Cl3O4/c1-2-22-15(20)9-5-3-4-6-10(9)16(21)23-14-8-12(18)11(17)7-13(14)19/h3-8H,2H2,1H3 |
| InChIKey | GVHBEEXPLXLPTF-UHFFFAOYSA-N |
| Mol Weight | 373.62 g/mol |
| Molecular Formula | C16H11Cl3O4 |
| Exact Mass | 371.972292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BylvW0A6jOi |
|---|---|
| Name | Phthalic acid, ethyl 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.972291930 u |
| Formula | C16H11Cl3O4 |
| InChI | InChI=1S/C16H11Cl3O4/c1-2-22-15(20)9-5-3-4-6-10(9)16(21)23-14-8-12(18)11(17)7-13(14)19/h3-8H,2H2,1H3 |
| InChIKey | GVHBEEXPLXLPTF-UHFFFAOYSA-N |
| Molecular Weight | 373.619 g/mol |
| SMILES | C1(=CC=CC=C1C(OCC)=O)C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O |