| SpectraBase Compound ID | ICg3lRYSqge |
|---|---|
| InChI | InChI=1S/C14H11ClO3/c1-17-13-4-2-3-10(9-13)14(16)18-12-7-5-11(15)6-8-12/h2-9H,1H3 |
| InChIKey | NSYNJRZBHCVYKP-UHFFFAOYSA-N |
| Mol Weight | 262.69 g/mol |
| Molecular Formula | C14H11ClO3 |
| Exact Mass | 262.039672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ckd1wvd2TqI |
|---|---|
| Name | m-Anisic acid, 4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.039671911 u |
| Formula | C14H11ClO3 |
| InChI | InChI=1S/C14H11ClO3/c1-17-13-4-2-3-10(9-13)14(16)18-12-7-5-11(15)6-8-12/h2-9H,1H3 |
| InChIKey | NSYNJRZBHCVYKP-UHFFFAOYSA-N |
| Molecular Weight | 262.692 g/mol |
| SMILES | C1(=CC=CC(=C1)C(OC1=CC=C(C=C1)Cl)=O)OC |