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(+)-2-Benzyl-2,3-dihydrobenzo[b]thiophene 1,1-dioxide
SpectraBase Compound ID 5QZXBeWSW2Q
InChI InChI=1S/C15H14O2S/c16-18(17)14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)18/h1-9,14H,10-11H2
InChIKey OGFIGQBKZDDKIA-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 6Y9ajwczyHA
Name (+)-2-Benzyl-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/c16-18(17)14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)18/h1-9,14H,10-11H2
InChIKey OGFIGQBKZDDKIA-UHFFFAOYSA-N
Instrument Name GCMSQP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701409
Optical Rotation [a]D20 = +32 (c = 0.84, CHCl3)
Quality 467
SMILES C1=CC2=C(C=C1)S(C(C2)CC1=CC=CC=C1)(=O)=O
SPLASH splash10-0006-6970000000-2b54d995bb4c7dd6b333
Sample Comments 69% ee
Source of Spectrum ACI-56-SM19-4d (DOI: 10.1002/anie.201701409)
Wiley ID 1895797