| SpectraBase Compound ID | EJCEEKRbPJX |
|---|---|
| InChI | InChI=1S/C18H16Cl2O4/c1-2-3-10-23-17(21)13-6-4-5-7-14(13)18(22)24-12-8-9-15(19)16(20)11-12/h4-9,11H,2-3,10H2,1H3 |
| InChIKey | GEPBWYPAQFRJHV-UHFFFAOYSA-N |
| Mol Weight | 367.23 g/mol |
| Molecular Formula | C18H16Cl2O4 |
| Exact Mass | 366.042564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HOdVPNrMAKy |
|---|---|
| Name | Phthalic acid, butyl 3,4-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.042564391 u |
| Formula | C18H16Cl2O4 |
| InChI | InChI=1S/C18H16Cl2O4/c1-2-3-10-23-17(21)13-6-4-5-7-14(13)18(22)24-12-8-9-15(19)16(20)11-12/h4-9,11H,2-3,10H2,1H3 |
| InChIKey | GEPBWYPAQFRJHV-UHFFFAOYSA-N |
| Molecular Weight | 367.228 g/mol |
| SMILES | CCCCOC(C1=C(C(OC2=CC=C(C(=C2)Cl)Cl)=O)C=CC=C1)=O |