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(E)-1-Methyl-2-(styrylsulfonyl)-1H-benzo[d]imidazole
SpectraBase Compound ID HGWNfiwf1aG
InChI InChI=1S/C16H14N2O2S/c1-18-15-10-6-5-9-14(15)17-16(18)21(19,20)12-11-13-7-3-2-4-8-13/h2-12H,1H3/b12-11+
InChIKey ZPDXZLKAQQGRHW-VAWYXSNFSA-N
Mol Weight 298.36 g/mol
Molecular Formula C16H14N2O2S
Exact Mass 298.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2auB4lgp6l3
Name (E)-1-Methyl-2-(styrylsulfonyl)-1H-benzo[d]imidazole
Appearance Colorless solid
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Formula C16H14N2O2S
InChI InChI=1S/C16H14N2O2S/c1-18-15-10-6-5-9-14(15)17-16(18)21(19,20)12-11-13-7-3-2-4-8-13/h2-12H,1H3/b12-11+
InChIKey ZPDXZLKAQQGRHW-VAWYXSNFSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01794
Reported Formula C16H14O2N2(32)S
SMILES c1(ccccc1)\C=C\S(=O)(=O)c1[n](c2c(n1)cccc2)C
SPLASH splash10-0002-0910000000-19ba927051900ace8c8e
Source of Spectrum A1-23-SM42-7b
Thin-Layer Chromatography Rf = 0.22 (hexane/EtOAc, 4:1)
Wiley ID 1868084