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(-)-3-(m-Tolyl)-2,3-dihydrobenzo[b]thiophene 1,1-dioxide
SpectraBase Compound ID 8aYVrhGtpyl
InChI InChI=1S/C15H14O2S/c1-11-5-4-6-12(9-11)14-10-18(16,17)15-8-3-2-7-13(14)15/h2-9,14H,10H2,1H3
InChIKey JKOIPMATPOEXMT-UHFFFAOYSA-N
Mol Weight 258.33 g/mol
Molecular Formula C15H14O2S
Exact Mass 258.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xFCXSooqG
Name (-)-3-(m-Tolyl)-2,3-dihydrobenzo[b]thiophene 1,1-dioxide
Appearance Colorless crystalline solid
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Exact Mass 258.071450863 u
Formula C15H14O2S
InChI InChI=1S/C15H14O2S/c1-11-5-4-6-12(9-11)14-10-18(16,17)15-8-3-2-7-13(14)15/h2-9,14H,10H2,1H3
InChIKey JKOIPMATPOEXMT-UHFFFAOYSA-N
Instrument Name GCMSQP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701409
Optical Rotation [a]D20 = -4.8 (c = 0.81, CHCl3)
Quality 273
SMILES C1=CC2=C(C=C1)S(CC2C1=CC(=CC=C1)C)(=O)=O
SPLASH splash10-056r-0930000000-52caacb383413ae8587e
Sample Comments 98% ee
Source of Spectrum ACI-56-SM17-2i (DOI: 10.1002/anie.201701409)
Wiley ID 1895784