Systematic / IUPAC Name: (2E)-3-[5-(Phenylethynyl)-2-thienyl]-2-(2-thienylcarbonyl)acrylonitrile
ID: Reference5047
Other Names: 2-Thiophenepropanenitrile, β-oxo-α-{[5-(2-phenylethynyl)-2-thienyl]methylene}-, (αE)-
Formula: C20H11NOS2
3-[5-(2-Phenyleth-1-ynyl)-2-thienyl]-2-(2-thienylcarbonyl)acrylonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 119 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 6/27/2016 8:35:45 AM |
InChI | InChI=1S/C20H11NOS2/c21-14-16(20(22)19-7-4-12-23-19)13-18-11-10-17(24-18)9-8-15-5-2-1-3-6-15/h1-7,10-13H/b16-13+ |
InChI Key | JTDIMFIRMMUSMZ-DTQAZKPQSA-N |
Canonical SMILES | C1=CC=C(C=C1)C#CC2=CC=C(S2)C=C(C#N)C(=O)C3=CC=CS3 |
CAS | |
Splash | |
Other Names | 2-Thiophenepropanenitrile, β-oxo-α-{[5-(2-phenylethynyl)-2-thienyl]methylene}-, (αE)- |