| SpectraBase Spectrum ID |
6jYZUlDL6TR |
| Name |
2-Keto-4-(methylthio)-6-phenyl-pyran-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.035399706 u |
| Formula |
C13H9NO2S |
| InChI |
InChI=1S/C13H9NO2S/c1-17-12-7-11(9-5-3-2-4-6-9)16-13(15)10(12)8-14/h2-7H,1H3 |
| InChIKey |
FIGVJXMTQDHJMQ-UHFFFAOYSA-N |
| Molecular Weight |
243.280 g/mol |
| SMILES |
C=1(C(OC(=CC1SC)C1=CC=CC=C1)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830397 |
