| SpectraBase Compound ID | DWbIIaC4zOf |
|---|---|
| InChI | InChI=1S/C17H15ClO4/c1-2-11-21-16(19)14-5-3-4-6-15(14)17(20)22-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3 |
| InChIKey | KRFWHOVNVBNICI-UHFFFAOYSA-N |
| Mol Weight | 318.76 g/mol |
| Molecular Formula | C17H15ClO4 |
| Exact Mass | 318.065887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUJu8910n1d |
|---|---|
| Name | Phthalic acid, 4-chlorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.065886659 u |
| Formula | C17H15ClO4 |
| InChI | InChI=1S/C17H15ClO4/c1-2-11-21-16(19)14-5-3-4-6-15(14)17(20)22-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3 |
| InChIKey | KRFWHOVNVBNICI-UHFFFAOYSA-N |
| Molecular Weight | 318.756 g/mol |
| SMILES | CCCOC(C1=C(C(OC2=CC=C(C=C2)Cl)=O)C=CC=C1)=O |