| SpectraBase Compound ID | 9zl44M01Goz |
|---|---|
| InChI | InChI=1S/C17H14Cl2O4/c1-2-9-22-16(20)11-3-5-12(6-4-11)17(21)23-13-7-8-14(18)15(19)10-13/h3-8,10H,2,9H2,1H3 |
| InChIKey | YOLKXUAHTGJVNT-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 | FzT8Fbbiren |
|---|---|
| Name | Terephthalic acid, 3,4-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/c1-2-9-22-16(20)11-3-5-12(6-4-11)17(21)23-13-7-8-14(18)15(19)10-13/h3-8,10H,2,9H2,1H3 |
| InChIKey | YOLKXUAHTGJVNT-UHFFFAOYSA-N |
| Molecular Weight | 353.201 g/mol |
| SMILES | C1(=CC=C(C=C1)C(=O)OCCC)C(OC1=CC=C(C(=C1)Cl)Cl)=O |