3-[5-(2-Phenyleth-1-ynyl)-2-thienyl]-2-(2-thienylcarbonyl)acrylonitrile

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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

Spectral Data

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.

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Available MS Data

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
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Identificators

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
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Other Names 2-Thiophenepropanenitrile, β-oxo-α-{[5-(2-phenylethynyl)-2-thienyl]methylene}-, (αE)-

In Other Databases

ChemSpider 4653026
PubChem 5716011