3-(2,1,3-Benzothiadiazol-4-ylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile

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Systematic / IUPAC Name: (2E)-2-[(2,1,3-Benzothiadiazol-4-ylamino)methylene]-4,4-dimethyl-3-oxopentanenitrile

ID: Reference7048

Other Names: Pentanenitrile, 2-[(2,1,3-benzothiadiazol-4-ylamino)methylene]-4,4-dimethyl-3-oxo-, (2E)-

Formula: C14H14N4OS

Spectral Data

3-(2,1,3-Benzothiadiazol-4-ylamino)-2-(2,2-dimethylpropanoyl)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 11/21/2017 1:00:27 PM
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Identificators

InChI InChI=1S/C14H14N4OS/c1-14(2,3)13(19)9(7-15)8-16-10-5-4-6-11-12(10)18-20-17-11/h4-6,8,16H,1-3H3/b9-8+
InChI Key QZOMZISEDDJTHO-CMDGGOBGSA-N
Canonical SMILES CC(C)(C)C(=O)C(=CNC1=CC=CC2=NSN=C21)C#N
CAS
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Other Names Pentanenitrile, 2-[(2,1,3-benzothiadiazol-4-ylamino)methylene]-4,4-dimethyl-3-oxo-, (2E)-

In Other Databases

ChemSpider 2099707
PubChem 2821480