| SpectraBase Compound ID | Gf7j6M69qdm |
|---|---|
| InChI | InChI=1S/C17H14Cl2O4/c1-2-9-22-16(20)11-5-3-6-12(10-11)17(21)23-14-8-4-7-13(18)15(14)19/h3-8,10H,2,9H2,1H3 |
| InChIKey | TTYJSHJYTFMFAZ-UHFFFAOYSA-N |
| Mol Weight | 353.2 g/mol |
| Molecular Formula | C17H14Cl2O4 |
| Exact Mass | 352.026914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GCXvXeSemT0 |
|---|---|
| Name | Isophthalic acid, 2,3-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/c1-2-9-22-16(20)11-5-3-6-12(10-11)17(21)23-14-8-4-7-13(18)15(14)19/h3-8,10H,2,9H2,1H3 |
| InChIKey | TTYJSHJYTFMFAZ-UHFFFAOYSA-N |
| Molecular Weight | 353.201 g/mol |
| SMILES | C1=C(C(=C(C=C1)Cl)Cl)OC(C1=CC(C(OCCC)=O)=CC=C1)=O |