| SpectraBase Compound ID | 3ZvhQWj1wvN |
|---|---|
| InChI | InChI=1S/C13H10ClNO2/c14-12-3-1-10(2-4-12)9-17-13(16)11-5-7-15-8-6-11/h1-8H,9H2 |
| InChIKey | KFNLUWVOHPCBPL-UHFFFAOYSA-N |
| Mol Weight | 247.68 g/mol |
| Molecular Formula | C13H10ClNO2 |
| Exact Mass | 247.040006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H6Qfnze2oJA |
|---|---|
| Name | Isonicotinic acid, (4-chlorophenyl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.040006264 u |
| Formula | C13H10ClNO2 |
| InChI | InChI=1S/C13H10ClNO2/c14-12-3-1-10(2-4-12)9-17-13(16)11-5-7-15-8-6-11/h1-8H,9H2 |
| InChIKey | KFNLUWVOHPCBPL-UHFFFAOYSA-N |
| Molecular Weight | 247.681 g/mol |
| SMILES | C1=NC=CC(=C1)C(OCC1=CC=C(C=C1)Cl)=O |