3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-(propylsulfonyl)acrylonitrile

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Systematic / IUPAC Name: (2E)-3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-(propylsulfonyl)acrylonitrile

ID: Reference8620

Other Names: 2-Propenenitrile, 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-(propylsulfonyl)-, (2E)-;
(E)-3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-propylsulfonylprop-2-enenitrile

Formula: C14H16N2O4S

Spectral Data

3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-(propylsulfonyl)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 2
No. of Spectra 219
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/6/2019 8:14:41 AM
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Identificators

InChI InChI=1S/C14H16N2O4S/c1-2-7-21(17,18)12(9-15)10-16-11-3-4-13-14(8-11)20-6-5-19-13/h3-4,8,10,16H,2,5-7H2,1H3/b12-10+
InChI Key XDJJHQYDZOSLPT-ZRDIBKRKSA-N
Canonical SMILES CCCS(=O)(=O)C(=CNC1=CC2=C(C=C1)OCCO2)C#N
CAS
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Other Names 2-Propenenitrile, 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-(propylsulfonyl)-, (2E)-;
(E)-3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-propylsulfonylprop-2-enenitrile

In Other Databases

ChemSpider 2099179
PubChem 2820951