| SpectraBase Spectrum ID |
710QqkcLETZ |
| Name |
3-Pyridinecarboxylic acid, 4-[[(4-ethoxyphenyl)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 |
332.137221747 u |
| Formula |
C17H20N2O5 |
| InChI |
InChI=1S/C17H20N2O5/c1-4-24-12-7-5-11(6-8-12)19-16(21)13-9-14(20)18-10(2)15(13)17(22)23-3/h5-8,13H,4,9H2,1-3H3,(H,18,20)(H,19,21) |
| InChIKey |
HZEWDKGSDRERJX-UHFFFAOYSA-N |
| Molecular Weight |
332.356 g/mol |
| SMILES |
C(=O)(NC1=CC=C(OCC)C=C1)C1CC(NC(=C1C(OC)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83095 |
![3-Pyridinecarboxylic acid, 4-[[(4-ethoxyphenyl)amino]carbonyl]-1,4,5,6-tetrahydro-2-methyl-6-oxo-, methyl ester](/api/spectrum/710QqkcLETZ/structure.png?h=300&w=458 "3-Pyridinecarboxylic acid, 4-[[(4-ethoxyphenyl)amino]carbonyl]-1,4,5,6-tetrahydro-2-methyl-6-oxo-, methyl ester")
