| SpectraBase Compound ID | LTqR92kkbXG |
|---|---|
| InChI | InChI=1S/C12H8ClNO2/c13-9-4-6-10(7-5-9)16-12(15)11-3-1-2-8-14-11/h1-8H |
| InChIKey | CPYVYZDMUCPNHX-UHFFFAOYSA-N |
| Mol Weight | 233.65 g/mol |
| Molecular Formula | C12H8ClNO2 |
| Exact Mass | 233.024356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9i2RcXyfzTk |
|---|---|
| Name | Picolinic acid 4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.024356200 u |
| Formula | C12H8ClNO2 |
| InChI | InChI=1S/C12H8ClNO2/c13-9-4-6-10(7-5-9)16-12(15)11-3-1-2-8-14-11/h1-8H |
| InChIKey | CPYVYZDMUCPNHX-UHFFFAOYSA-N |
| Molecular Weight | 233.654 g/mol |
| SMILES | C=1N=C(C=CC1)C(OC1=CC=C(C=C1)Cl)=O |