| SpectraBase Spectrum ID |
LiFOMueXlMw |
| Name |
2-Methylsulfanyl-6-oxo-4-(3-phenoxyphenyl)1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.093248935 u |
| Formula |
C19H16N2O2S |
| InChI |
InChI=1S/C19H16N2O2S/c1-24-19-17(12-20)16(11-18(22)21-19)13-6-5-9-15(10-13)23-14-7-3-2-4-8-14/h2-10,16H,11H2,1H3,(H,21,22) |
| InChIKey |
VHEZXHKCWAOEDL-UHFFFAOYSA-N |
| Molecular Weight |
336.409 g/mol |
| SMILES |
C1C(NC(=C(C1C1=CC=CC(=C1)OC1=CC=CC=C1)C#N)SC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955611 |
