| SpectraBase Compound ID | ChpUueIvhGw |
|---|---|
| InChI | InChI=1S/C17H14Cl2O4/c1-2-8-22-16(20)11-4-3-5-12(9-11)17(21)23-15-10-13(18)6-7-14(15)19/h3-7,9-10H,2,8H2,1H3 |
| InChIKey | ZLJOVBVIBNJLFZ-UHFFFAOYSA-N |
| Mol Weight | 353.2 g/mol |
| Molecular Formula | C17H14Cl2O4 |
| Exact Mass | 352.026914 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 | FqP4LVdaQqK |
|---|---|
| Name | Isophthalic acid, 2,5-dichlorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.026914327 u |
| Formula | C17H14Cl2O4 |
| InChI | InChI=1S/C17H14Cl2O4/c1-2-8-22-16(20)11-4-3-5-12(9-11)17(21)23-15-10-13(18)6-7-14(15)19/h3-7,9-10H,2,8H2,1H3 |
| InChIKey | ZLJOVBVIBNJLFZ-UHFFFAOYSA-N |
| Molecular Weight | 353.201 g/mol |
| SMILES | C1=C(C(=CC=C1Cl)Cl)OC(C1=CC(C(OCCC)=O)=CC=C1)=O |