| SpectraBase Compound ID | KI22hpY1BpN |
|---|---|
| InChI | InChI=1S/C21H15ClO4/c1-14-7-6-8-15(13-14)25-20(23)16-9-2-3-10-17(16)21(24)26-19-12-5-4-11-18(19)22/h2-13H,1H3 |
| InChIKey | NXXCQKZWPXFNPU-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 | GhcqerAUbSd |
|---|---|
| Name | Phthalic acid, 2-chlorophenyl 3-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/c1-14-7-6-8-15(13-14)25-20(23)16-9-2-3-10-17(16)21(24)26-19-12-5-4-11-18(19)22/h2-13H,1H3 |
| InChIKey | NXXCQKZWPXFNPU-UHFFFAOYSA-N |
| Molecular Weight | 366.800 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC(C)=CC=C1)=O)C(OC1=CC=CC=C1Cl)=O |