| SpectraBase Compound ID | J2Ei44Uvojz |
|---|---|
| InChI | InChI=1S/C13H10ClNO2/c1-17-13(16)10-4-7-12(15-8-10)9-2-5-11(14)6-3-9/h2-8H,1H3 |
| InChIKey | RJKCWSQEGOGWEH-UHFFFAOYSA-N |
| Mol Weight | 247.68 g/mol |
| Molecular Formula | C13H10ClNO2 |
| Exact Mass | 247.040006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4W3Iznvdxso |
|---|---|
| Name | 6-(4-Chlorophenyl)-3-pyridinecarboxylic acid 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/c1-17-13(16)10-4-7-12(15-8-10)9-2-5-11(14)6-3-9/h2-8H,1H3 |
| InChIKey | RJKCWSQEGOGWEH-UHFFFAOYSA-N |
| Molecular Weight | 247.681 g/mol |
| SMILES | C1(C(=O)OC)=CN=C(C=C1)C=1C=CC(=CC1)Cl |