| SpectraBase Compound ID | FCgRVeQg4Co |
|---|---|
| InChI | InChI=1S/C12H8ClNO2/c13-10-3-1-2-9(8-10)12(15)16-11-4-6-14-7-5-11/h1-8H |
| InChIKey | DDXGHSQZQGQEMA-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 | KGGWXDymfH5 |
|---|---|
| Name | Pyridin-4-yl 3-chlorobenzoate |
| 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/c13-10-3-1-2-9(8-10)12(15)16-11-4-6-14-7-5-11/h1-8H |
| InChIKey | DDXGHSQZQGQEMA-UHFFFAOYSA-N |
| Molecular Weight | 233.654 g/mol |
| SMILES | C1=CN=CC=C1OC(=O)C1=CC(=CC=C1)Cl |