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3-(p-Tolyl)benzo[b]thiophene 1,1-dioxide
SpectraBase Compound ID 6dI6HSjUfI6
InChI InChI=1S/C15H12O2S/c1-11-6-8-12(9-7-11)14-10-18(16,17)15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKey WTDZAKROKJCXQO-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C15H12O2S
Exact Mass 256.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eff2DQQ6lwD
Name 3-(p-Tolyl)benzo[b]thiophene 1,1-dioxide
Appearance White crystalline solid
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Exact Mass 256.055800798 u
Formula C15H12O2S
InChI InChI=1S/C15H12O2S/c1-11-6-8-12(9-7-11)14-10-18(16,17)15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKey WTDZAKROKJCXQO-UHFFFAOYSA-N
Instrument Name GCMSQP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701409
Molecular Weight 256.319 g/mol
SMILES C1=CC2=C(C=C1)S(C=C2C1=CC=C(C=C1)C)(=O)=O
SPLASH splash10-004i-0190000000-5a52cafb5d034e794f2c
Source of Spectrum ACI-56-SM11-1h (DOI: 10.1002/anie.201701409)
Thin-Layer Chromatography 0.26 (pentane/EtOAc, 75:25)
Wiley ID 1895771