| SpectraBase Compound ID | 5HJgOe5EPqQ |
|---|---|
| InChI | InChI=1S/C17H14Cl2O4/c1-2-8-22-16(20)11-4-3-5-12(9-11)17(21)23-15-7-6-13(18)10-14(15)19/h3-7,9-10H,2,8H2,1H3 |
| InChIKey | SZTQSPHRCORJGG-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 | DCzZvM30bHE |
|---|---|
| Name | Isophthalic acid, 2,4-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)23-15-7-6-13(18)10-14(15)19/h3-7,9-10H,2,8H2,1H3 |
| InChIKey | SZTQSPHRCORJGG-UHFFFAOYSA-N |
| Molecular Weight | 353.201 g/mol |
| SMILES | C1=CC(OC(C2=CC(C(OCCC)=O)=CC=C2)=O)=C(C=C1Cl)Cl |