| SpectraBase Spectrum ID |
1JCywyQOnI |
| Name |
2-(3-phenylsulfanylprop-1-ynyl)benzenecarbonitrile |
| Alternate Name(s) |
2-(3-phenylsulfanylprop-1-ynyl)benzonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H11NS |
| InChI |
InChI=1S/C16H11NS/c17-13-15-8-5-4-7-14(15)9-6-12-18-16-10-2-1-3-11-16/h1-5,7-8,10-11H,12H2 |
| InChIKey |
AAUMZNUAVTUNHF-UHFFFAOYSA-N |
| Molecular Weight |
249.331 g/mol |
| SMILES |
C(#CCSc1ccccc1)c1c(C#N)cccc1 |
| SPLASH |
splash10-0005-0690000000-89e83040dd3a8f8f15da |
| Source of Spectrum |
KC-0-2876-2 |
| Wiley ID |
829255 |
