| SpectraBase Spectrum ID |
1rMBWID7jiz |
| Name |
1-[3-(4-Methoxyphenyl)prop-2-yn-1-yl]-1,3-dihydro-2H-benzimidazole-2-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.082684252 u |
| Formula |
C17H14N2OS |
| InChI |
InChI=1S/C17H14N2OS/c1-20-14-10-8-13(9-11-14)5-4-12-19-16-7-3-2-6-15(16)18-17(19)21/h2-3,6-11H,12H2,1H3,(H,18,21) |
| InChIKey |
PIYLFBFUMDEEHR-UHFFFAOYSA-N |
| SMILES |
C1(N(C=2C=CC=CC2N1)CC#CC=1C=CC(=CC1)OC)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886747 |
![1-[3-(4-Methoxyphenyl)prop-2-yn-1-yl]-1,3-dihydro-2H-benzimidazole-2-thione](/api/spectrum/1rMBWID7jiz/structure.png?h=300&w=458 "1-[3-(4-Methoxyphenyl)prop-2-yn-1-yl]-1,3-dihydro-2H-benzimidazole-2-thione")
