| SpectraBase Spectrum ID |
5KDoihEcVU6 |
| Name |
2-(1-Benzyl-4-methyl-2-oxo-1,6-dihydro-2H-pyridin-3-ylidene)hexanoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.183443666 u |
| Formula |
C20H25NO3 |
| InChI |
InChI=1S/C20H25NO3/c1-4-5-11-17(20(23)24-3)18-15(2)12-13-21(19(18)22)14-16-9-7-6-8-10-16/h6-10,12H,4-5,11,13-14H2,1-3H3/b18-17- |
| InChIKey |
QYHZAYJIAGEZKM-ZCXUNETKSA-N |
| Molecular Weight |
327.424 g/mol |
| SMILES |
C(\C(CCCC)=C/1C(N(CC=C1C)CC=1C=CC=CC1)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947184 |
