| SpectraBase Compound ID | 1NlnnaDWnlk |
|---|---|
| InChI | InChI=1S/C21H15ClO4/c1-14-6-2-5-9-19(14)26-21(24)18-8-4-3-7-17(18)20(23)25-16-12-10-15(22)11-13-16/h2-13H,1H3 |
| InChIKey | QPPBJBZIYKYWIU-UHFFFAOYSA-N |
| Mol Weight | 366.8 g/mol |
| Molecular Formula | C21H15ClO4 |
| Exact Mass | 366.065887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 98e4ri6ckx7 |
|---|---|
| Name | Phthalic acid, 4-chlorophenyl 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.065886659 u |
| Formula | C21H15ClO4 |
| InChI | InChI=1S/C21H15ClO4/c1-14-6-2-5-9-19(14)26-21(24)18-8-4-3-7-17(18)20(23)25-16-12-10-15(22)11-13-16/h2-13H,1H3 |
| InChIKey | QPPBJBZIYKYWIU-UHFFFAOYSA-N |
| Molecular Weight | 366.800 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC=CC=C1C)=O)C(OC1=CC=C(C=C1)Cl)=O |