| SpectraBase Spectrum ID |
423ikEUuerf |
| Name |
(E)-5-(2-Keto-1-pyridyl)pent-2-enoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.105193344 u |
| Formula |
C12H15NO3 |
| InChI |
InChI=1S/C12H15NO3/c1-2-16-12(15)8-4-6-10-13-9-5-3-7-11(13)14/h3-5,7-9H,2,6,10H2,1H3/b8-4+ |
| InChIKey |
USMKTRFWPZYBIF-XBXARRHUSA-N |
| Molecular Weight |
221.256 g/mol |
| SMILES |
C1(N(C=CC=C1)CC\C=C\C(=O)OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933344 |
