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3-(4-Methoxyphenyl)benzo[b]thiophene 1,1-dioxide
SpectraBase Compound ID AVAyQ3KCeHc
InChI InChI=1S/C15H12O3S/c1-18-12-8-6-11(7-9-12)14-10-19(16,17)15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKey RUBOYACAHBKXLN-UHFFFAOYSA-N
Mol Weight 272.32 g/mol
Molecular Formula C15H12O3S
Exact Mass 272.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zKCX8EGI6i
Name 3-(4-Methoxyphenyl)benzo[b]thiophene 1,1-dioxide
Appearance White crystalline solid
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Exact Mass 272.050715417 u
Formula C15H12O3S
InChI InChI=1S/C15H12O3S/c1-18-12-8-6-11(7-9-12)14-10-19(16,17)15-5-3-2-4-13(14)15/h2-10H,1H3
InChIKey RUBOYACAHBKXLN-UHFFFAOYSA-N
Instrument Name GCMSQP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701409
SMILES C1=CC2=C(C=C1)S(C=C2C1=CC=C(C=C1)OC)(=O)=O
SPLASH splash10-0006-0090000000-5e068f39119342bc3310
Source of Spectrum ACI-56-SM12-1l (DOI: 10.1002/anie.201701409)
Thin-Layer Chromatography 0.26 (pentane/EtOAc, 80:20)
Wiley ID 1895775