N1-(2,4-Dimethylphenyl)-2-cyano-3-oxo-3-tetrahydro-1H-pyrrol-1-ylpropanethioamide

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Systematic / IUPAC Name: 2-Cyano-N-(2,4-dimethylphenyl)-3-oxo-3-(1-pyrrolidinyl)propanethioamide

ID: Reference5608

Other Names: 1-Pyrrolidinepropanethioamide, α-cyano-N-(2,4-dimethylphenyl)-β-oxo-

Formula: C16H19N3OS

Spectral Data

N1-(2,4-Dimethylphenyl)-2-cyano-3-oxo-3-tetrahydro-1H-pyrrol-1-ylpropanethioamide 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 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/13/2016 2:00:46 PM
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Identificators

InChI InChI=1S/C16H19N3OS/c1-11-5-6-14(12(2)9-11)18-15(21)13(10-17)16(20)19-7-3-4-8-19/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,18,21)
InChI Key BGFSBVZAGBHONE-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=C(C=C1)NC(=S)C(C#N)C(=O)N2CCCC2)C
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Other Names 1-Pyrrolidinepropanethioamide, α-cyano-N-(2,4-dimethylphenyl)-β-oxo-

In Other Databases

ChemSpider 2084936
PubChem 2806434