| SpectraBase Compound ID | 8b7JcELRfok |
|---|---|
| InChI | InChI=1S/C16H11Cl3O4/c1-2-22-15(20)9-4-3-5-10(6-9)16(21)23-14-12(18)7-11(17)8-13(14)19/h3-8H,2H2,1H3 |
| InChIKey | FZSRBJKOTUCYHG-UHFFFAOYSA-N |
| Mol Weight | 373.62 g/mol |
| Molecular Formula | C16H11Cl3O4 |
| Exact Mass | 371.972292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EhuPZB5u3p1 |
|---|---|
| Name | Isophthalic acid, ethyl 2,4,6-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)9-4-3-5-10(6-9)16(21)23-14-12(18)7-11(17)8-13(14)19/h3-8H,2H2,1H3 |
| InChIKey | FZSRBJKOTUCYHG-UHFFFAOYSA-N |
| Molecular Weight | 373.619 g/mol |
| SMILES | C1(=C(C(=CC(=C1)Cl)Cl)OC(C1=CC(=CC=C1)C(OCC)=O)=O)Cl |