2-(tert-Butylsulfonyl)-3-(3-methylbenzo[b]thiophen-2-yl)acrylonitrile

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Systematic / IUPAC Name: (2E)-3-(3-Methyl-1-benzothiophen-2-yl)-2-[(2-methyl-2-propanyl)sulfonyl]acrylonitrile

ID: Reference4285

Other Names: 2-Propenenitrile, 2-[(1,1-dimethylethyl)sulfonyl]-3-(3-methylbenzo[b]thien-2-yl)-, (2E)-

Formula: C16H17NO2S2

Spectral Data

2-(tert-Butylsulfonyl)-3-(3-methylbenzo[b]thiophen-2-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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/18/2016 11:26:11 AM
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Identificators

InChI InChI=1S/C16H17NO2S2/c1-11-13-7-5-6-8-14(13)20-15(11)9-12(10-17)21(18,19)16(2,3)4/h5-9H,1-4H3/b12-9+
InChI Key BIZAFLRWZNGHQO-FMIVXFBMSA-N
Canonical SMILES CC1=C(SC2=CC=CC=C12)C=C(C#N)S(=O)(=O)C(C)(C)C
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Other Names 2-Propenenitrile, 2-[(1,1-dimethylethyl)sulfonyl]-3-(3-methylbenzo[b]thien-2-yl)-, (2E)-

In Other Databases

ChemSpider 4653205
PubChem 5716267