2-(tert-Butylsulfonyl)-3-(4-chloro-1-methyl-1H-pyrazol-3-yl)acrylonitrile

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Systematic / IUPAC Name: (2E)-3-(4-Chloro-1-methyl-1H-pyrazol-3-yl)-2-[(2-methyl-2-propanyl)sulfonyl]acrylonitrile

ID: Reference3593

Other Names: 2-Propenenitrile, 3-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2-[(1,1-dimethylethyl)sulfonyl]-, (2E)-

Formula: C11H14ClN3O2S

Spectral Data

2-(tert-Butylsulfonyl)-3-(4-chloro-1-methyl-1H-pyrazol-3-yl)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 Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 243
Tandem Spectra MS1, MS2
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 1/18/2016 9:52:50 AM
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Identificators

InChI InChI=1S/C11H14ClN3O2S/c1-11(2,3)18(16,17)8(6-13)5-10-9(12)7-15(4)14-10/h5,7H,1-4H3/b8-5+
InChI Key ZKBNLGNUFMJWFQ-VMPITWQZSA-N
Canonical SMILES CC(C)(C)S(=O)(=O)C(=CC1=NN(C=C1Cl)C)C#N
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Other Names 2-Propenenitrile, 3-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2-[(1,1-dimethylethyl)sulfonyl]-, (2E)-

In Other Databases

ChemSpider 4895645
PubChem 6364743