| SpectraBase Spectrum ID |
6vUs8dHq8nX |
| Name |
1-(4-Chlorophenyl)-2-keto-4,6-dimethyl-nicotinic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.066221012 u |
| Formula |
C15H14ClNO3 |
| InChI |
InChI=1S/C15H14ClNO3/c1-9-8-10(2)17(12-6-4-11(16)5-7-12)14(18)13(9)15(19)20-3/h4-8H,1-3H3 |
| InChIKey |
CKBYFZMDFUIFEO-UHFFFAOYSA-N |
| Molecular Weight |
291.734 g/mol |
| SMILES |
C1(C(=C(C)C=C(N1C=1C=CC(=CC1)Cl)C)C(=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820572 |
