| SpectraBase Compound ID | FgPWJzm7sQA |
|---|---|
| InChI | InChI=1S/C16H12Cl2O4/c1-2-21-15(19)10-4-3-5-11(8-10)16(20)22-14-9-12(17)6-7-13(14)18/h3-9H,2H2,1H3 |
| InChIKey | GJRJFCUEDNCZHQ-UHFFFAOYSA-N |
| Mol Weight | 339.17 g/mol |
| Molecular Formula | C16H12Cl2O4 |
| Exact Mass | 338.011264 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 | 257YsOzOV2j |
|---|---|
| Name | Isophthalic acid, 2,5-dichlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.011264262 u |
| Formula | C16H12Cl2O4 |
| InChI | InChI=1S/C16H12Cl2O4/c1-2-21-15(19)10-4-3-5-11(8-10)16(20)22-14-9-12(17)6-7-13(14)18/h3-9H,2H2,1H3 |
| InChIKey | GJRJFCUEDNCZHQ-UHFFFAOYSA-N |
| Molecular Weight | 339.174 g/mol |
| SMILES | C1=CC(=C(C=C1Cl)OC(C1=CC(C(OCC)=O)=CC=C1)=O)Cl |