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(+)-2-(p-Tolyl)-2,3-dihydrobenzo[b]thiophene 1,1-dioxide
SpectraBase Compound ID HKT97Nc1Zm5
InChI InChI=1S/C15H14O2S/c1-11-6-8-12(9-7-11)15-10-13-4-2-3-5-14(13)18(15,16)17/h2-9,15H,10H2,1H3
InChIKey DQVMXQIFZXEURQ-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 Kg1FTKurfOq
Name (+)-2-(p-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/c1-11-6-8-12(9-7-11)15-10-13-4-2-3-5-14(13)18(15,16)17/h2-9,15H,10H2,1H3
InChIKey DQVMXQIFZXEURQ-UHFFFAOYSA-N
Instrument Name GCMSQP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701409
Optical Rotation [a]D20 = +73 (c 0.81, CHCl3)
Quality 150
SMILES C1=CC2=C(C=C1)S(C(C2)C1=CC=C(C=C1)C)(=O)=O
SPLASH splash10-004i-0910000000-bc18184d8a3e3b7bebb1
Sample Comments 98% ee
Source of Spectrum ACI-56-SM15-2b (DOI: 10.1002/anie.201701409)
Wiley ID 1895777