| SpectraBase Spectrum ID |
Cno5AsAdZfC |
| Name |
2-Hydroxy-6-mwthyl-5-(phenylthio)-pyridine-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.051384123 u |
| Formula |
C13H10N2OS |
| InChI |
InChI=1S/C13H10N2OS/c1-9-12(7-10(8-14)13(16)15-9)17-11-5-3-2-4-6-11/h2-7H,1H3,(H,15,16) |
| InChIKey |
SPXRXKGIZYRGMM-UHFFFAOYSA-N |
| Molecular Weight |
242.296 g/mol |
| SMILES |
C1(SC2=CC=CC=C2)=C(C)NC(C(=C1)C#N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946167 |
