| SpectraBase Compound ID | IPHf1WJs1MI |
|---|---|
| InChI | InChI=1S/C15H13ClO2/c1-10-4-3-5-12(8-10)15(17)18-14-7-6-13(16)9-11(14)2/h3-9H,1-2H3 |
| InChIKey | CARKKTZIQOBPDC-UHFFFAOYSA-N |
| Mol Weight | 260.72 g/mol |
| Molecular Formula | C15H13ClO2 |
| Exact Mass | 260.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dk01XIV97S7 |
|---|---|
| Name | 3-Methylbenzoic acid, 4-chloro-2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.060407357 u |
| Formula | C15H13ClO2 |
| InChI | InChI=1S/C15H13ClO2/c1-10-4-3-5-12(8-10)15(17)18-14-7-6-13(16)9-11(14)2/h3-9H,1-2H3 |
| InChIKey | CARKKTZIQOBPDC-UHFFFAOYSA-N |
| Molecular Weight | 260.720 g/mol |
| SMILES | C(C1=CC(=CC=C1)C)(OC=1C(C)=CC(=CC1)Cl)=O |