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(1R*,6R*,9S*)-2,5-Dithia-7-(p-methoxyphenyl)-9-phenoxy-7-azabicyclo[4.3.0]nonane
SpectraBase Compound ID 4VYgQxOzsBI
InChI InChI=1S/C19H21NO2S2/c1-21-15-9-7-14(8-10-15)20-13-17(18-19(20)24-12-11-23-18)22-16-5-3-2-4-6-16/h2-10,17-19H,11-13H2,1H3/t17-,18-,19-/m1/s1
InChIKey GQCDWADVDPGACD-GUDVDZBRSA-N
Mol Weight 359.5 g/mol
Molecular Formula C19H21NO2S2
Exact Mass 359.101371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXJCeoirxfm
Name (1R*,6R*,9S*)-2,5-Dithia-7-(p-methoxyphenyl)-9-phenoxy-7-azabicyclo[4.3.0]nonane
Comments Less than 3 mono-isotopic peaks
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Formula C19H21NO2S2
InChI InChI=1S/C19H21NO2S2/c1-21-15-9-7-14(8-10-15)20-13-17(18-19(20)24-12-11-23-18)22-16-5-3-2-4-6-16/h2-10,17-19H,11-13H2,1H3/t17-,18-,19-/m1/s1
InChIKey GQCDWADVDPGACD-GUDVDZBRSA-N
Molecular Weight 359.502 g/mol
SMILES [C@]12(N(C[C@]([C@]2(SCCS1)[H])(Oc1ccccc1)[H])c1ccc(cc1)OC)[H]
SPLASH splash10-0udi-0090000000-4649314459b0b99d1694
Source of Spectrum J-64-9604-20
Wiley ID 1531844