| SpectraBase Compound ID | ANNpZfZVNFu |
|---|---|
| InChI | InChI=1S/C17H14Cl2O4/c1-10(2)22-16(20)12-5-3-4-6-13(12)17(21)23-11-7-8-14(18)15(19)9-11/h3-10H,1-2H3 |
| InChIKey | UDVMSRPRWDNPMW-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 | IqytTGt5Nth |
|---|---|
| Name | Phthalic acid, 3,4-dichlorophenyl 2-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/c1-10(2)22-16(20)12-5-3-4-6-13(12)17(21)23-11-7-8-14(18)15(19)9-11/h3-10H,1-2H3 |
| InChIKey | UDVMSRPRWDNPMW-UHFFFAOYSA-N |
| Molecular Weight | 353.201 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC(C)C)=O)C(OC1=CC(=C(C=C1)Cl)Cl)=O |