| SpectraBase Compound ID | Bg60YOqBAe6 |
|---|---|
| InChI | InChI=1S/C18H16Cl2O4/c1-2-3-10-23-17(21)13-6-4-5-7-14(13)18(22)24-16-11-12(19)8-9-15(16)20/h4-9,11H,2-3,10H2,1H3 |
| InChIKey | PYDBQZXFMVMSGK-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 | JGdqpbwG4qc |
|---|---|
| Name | Phthalic acid, butyl 2,5-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)24-16-11-12(19)8-9-15(16)20/h4-9,11H,2-3,10H2,1H3 |
| InChIKey | PYDBQZXFMVMSGK-UHFFFAOYSA-N |
| Molecular Weight | 367.228 g/mol |
| SMILES | C1(=CC=CC=C1C(OC1=C(C=CC(=C1)Cl)Cl)=O)C(OCCCC)=O |