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2-(o-Tolyl)benzo[b]thiophene 1,1-dioxide
SpectraBase Compound ID 5oLxTJAaw1W
InChI InChI=1S/C15H12O2S/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)18(15,16)17/h2-10H,1H3
InChIKey ILNBBCRXIQPVRU-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 AKTk00OGZ7Q
Name 2-(o-Tolyl)benzo[b]thiophene 1,1-dioxide
Appearance White crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.055800798 u
Formula C15H12O2S
InChI InChI=1S/C15H12O2S/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)18(15,16)17/h2-10H,1H3
InChIKey ILNBBCRXIQPVRU-UHFFFAOYSA-N
Instrument Name GCMSQP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701409
Molecular Weight 256.319 g/mol
Quality 153
SMILES C1=CC2=C(C=C1)S(C(=C2)C1=CC=CC=C1C)(=O)=O
SPLASH splash10-014i-1920000000-badcf9bcee380a614e77
Source of Spectrum ACI-56-SM10-1d (DOI: 10.1002/anie.201701409)
Thin-Layer Chromatography 0.32 (pentane/EtOAc, 75:25)
Wiley ID 1895767