SpectraBase Spectrum ID |
ERpwb1gfBeS |
Name |
Ethyl 2,4-dimethyl-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
273.136493473 u |
Formula |
C16H19NO3 |
InChI |
InChI=1S/C16H19NO3/c1-4-20-16(19)15-11(2)10-14(18)17(12(15)3)13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3 |
InChIKey |
QCWHETYHYSPGCB-UHFFFAOYSA-N |
SMILES |
C1(=C(C(CC(N1C1=CC=CC=C1)=O)C)C(=O)OCC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960912 |