| SpectraBase Spectrum ID |
3VXnrEqSs42 |
| Name |
2-Pyridinecarbothioamide, N-(2,6-dimethylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.087769633 u |
| Formula |
C14H14N2S |
| InChI |
InChI=1S/C14H14N2S/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h3-9H,1-2H3,(H,16,17) |
| InChIKey |
GESLNDRZXAMKFK-UHFFFAOYSA-N |
| Molecular Weight |
242.340 g/mol |
| SMILES |
C(NC=1C(=CC=CC1C)C)(=S)C1=NC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963833 |
