| SpectraBase Spectrum ID |
8M8N7t28C5b |
| Name |
2-Methyl-6-methylsulfanyl-4-(4-nitrophenyl)benzenecarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.061948806 u |
| Formula |
C15H12N2O2S |
| InChI |
InChI=1S/C15H12N2O2S/c1-10-7-12(8-15(20-2)14(10)9-16)11-3-5-13(6-4-11)17(18)19/h3-8H,1-2H3 |
| InChIKey |
DZNSKWDLWWJVCU-UHFFFAOYSA-N |
| SMILES |
C1(N(=O)=O)=CC=C(C2=CC(SC)=C(C(=C2)C)C#N)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825236 |
