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(5R,6S)-5-methyl-5,6-diphenyl-3,5,6,7-tetrahydro-2H-cyclopenta[b][1,4]dithiine
SpectraBase Compound ID 3SkeOrBMmpb
InChI InChI=1S/C20H20S2/c1-20(16-10-6-3-7-11-16)17(15-8-4-2-5-9-15)14-18-19(20)22-13-12-21-18/h2-11,17H,12-14H2,1H3/t17-,20-/m0/s1
InChIKey LXLDPRWVKSIDMJ-PXNSSMCTSA-N
Mol Weight 324.5 g/mol
Molecular Formula C20H20S2
Exact Mass 324.100643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tWD3SHLbvW
Name (5R,6S)-5-methyl-5,6-diphenyl-3,5,6,7-tetrahydro-2H-cyclopenta[b][1,4]dithiine
Appearance White crystalline solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.100642992 u
Formula C20H20S2
InChI InChI=1S/C20H20S2/c1-20(16-10-6-3-7-11-16)17(15-8-4-2-5-9-15)14-18-19(20)22-13-12-21-18/h2-11,17H,12-14H2,1H3/t17-,20-/m0/s1
InChIKey LXLDPRWVKSIDMJ-PXNSSMCTSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201606411
Molecular Weight 324.500 g/mol
SMILES C12=C(SCCS2)C[C@]([C@]1(C)C1=CC=CC=C1)(C1=CC=CC=C1)[H]
SPLASH splash10-0ab9-0009000000-54568bb654f43bfff6a9
Source of Spectrum ACI-55-SM16-22 (DOI: 10.1002/anie.201606411)
Thin-Layer Chromatography 0.7 (Ethyl acetate/petroleum ether, 18%)
Wiley ID 1908142