| SpectraBase Spectrum ID |
8KqM3O0DxnC |
| Name |
3-Pyridinecarboxylic acid, 4-[[(3-chlorophenyl)amino]carbonyl]-1,4,5,6-tetrahydro-2-methyl-6-oxo-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.072034667 u |
| Formula |
C15H15ClN2O4 |
| InChI |
InChI=1S/C15H15ClN2O4/c1-8-13(15(21)22-2)11(7-12(19)17-8)14(20)18-10-5-3-4-9(16)6-10/h3-6,11H,7H2,1-2H3,(H,17,19)(H,18,20) |
| InChIKey |
ZFMBYVBJIVVPNL-UHFFFAOYSA-N |
| Molecular Weight |
322.748 g/mol |
| SMILES |
C(=O)(NC1=CC(=CC=C1)Cl)C1CC(NC(C)=C1C(OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82139 |
![3-Pyridinecarboxylic acid, 4-[[(3-chlorophenyl)amino]carbonyl]-1,4,5,6-tetrahydro-2-methyl-6-oxo-, methyl ester](/api/spectrum/8KqM3O0DxnC/structure.png?h=300&w=458 "3-Pyridinecarboxylic acid, 4-[[(3-chlorophenyl)amino]carbonyl]-1,4,5,6-tetrahydro-2-methyl-6-oxo-, methyl ester")
