| SpectraBase Spectrum ID |
JjvHhitBuoD |
| Name |
Benzonitrile, 4-[2-oxo-2-(2-thienyl)ethyl]- |
| Alternate Name(s) |
4-[2-oxo-2-(2-thienyl)ethyl]benzonitrile
4-(2-oxo-2-thiophen-2-ylethyl)benzonitrile
4-(2-oxidanylidene-2-thiophen-2-yl-ethyl)benzenecarbonitrile |
| CAS Registry Number |
90013-81-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H9NOS |
| InChI |
InChI=1S/C13H9NOS/c14-9-11-5-3-10(4-6-11)8-12(15)13-2-1-7-16-13/h1-7H,8H2 |
| InChIKey |
VAEQCSUVYLROQH-UHFFFAOYSA-N |
| Molecular Weight |
227.281 g/mol |
| SMILES |
c1(C(Cc2ccc(C#N)cc2)=O)sccc1 |
| SPLASH |
splash10-03di-0900000000-31c35803c15ee95d7f8e |
| Source of Spectrum |
K-117-1037-0 |
| Wiley ID |
1228601 |
![Benzonitrile, 4-[2-oxo-2-(2-thienyl)ethyl]-](/api/spectrum/JjvHhitBuoD/structure.png?h=300&w=458 "Benzonitrile, 4-[2-oxo-2-(2-thienyl)ethyl]-")
