| SpectraBase Compound ID | 1Sg2TIWCnRK |
|---|---|
| InChI | InChI=1S/C14H11ClO2/c1-10-5-4-6-11(9-10)14(16)17-13-8-3-2-7-12(13)15/h2-9H,1H3 |
| InChIKey | KOKVFOJWDVYHOJ-UHFFFAOYSA-N |
| Mol Weight | 246.69 g/mol |
| Molecular Formula | C14H11ClO2 |
| Exact Mass | 246.044757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 335yrabZvyQ |
|---|---|
| Name | m-Toluic acid, 2-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.044757292 u |
| Formula | C14H11ClO2 |
| InChI | InChI=1S/C14H11ClO2/c1-10-5-4-6-11(9-10)14(16)17-13-8-3-2-7-12(13)15/h2-9H,1H3 |
| InChIKey | KOKVFOJWDVYHOJ-UHFFFAOYSA-N |
| Molecular Weight | 246.693 g/mol |
| SMILES | C1=CC(C(OC2=C(C=CC=C2)Cl)=O)=CC(=C1)C |