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3-[1-(benzenesulfonyl)-6-methyl-5-phenylsulfanyl-indol-4-yl]oxypropan-1-ol
SpectraBase Compound ID LpQD2hpLKdx
InChI InChI=1S/C24H23NO4S2/c1-18-17-22-21(13-14-25(22)31(27,28)20-11-6-3-7-12-20)23(29-16-8-15-26)24(18)30-19-9-4-2-5-10-19/h2-7,9-14,17,26H,8,15-16H2,1H3
InChIKey LAUICBWZGXDKPB-UHFFFAOYSA-N
Mol Weight 453.57 g/mol
Molecular Formula C24H23NO4S2
Exact Mass 453.106851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5ApEDUeIlJ
Name 3-[1-(benzenesulfonyl)-6-methyl-5-phenylsulfanyl-indol-4-yl]oxypropan-1-ol
Alternate Name(s) 3-[1-besyl-6-methyl-5-(phenylthio)indol-4-yl]oxypropan-1-ol 3-[6-methyl-5-phenylsulfanyl-1-(phenylsulfonyl)indol-4-yl]oxypropan-1-ol 3-[[1-(benzenesulfonyl)-6-methyl-5-(phenylthio)-4-indolyl]oxy]-1-propanol
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Formula C24H23NO4S2
InChI InChI=1S/C24H23NO4S2/c1-18-17-22-21(13-14-25(22)31(27,28)20-11-6-3-7-12-20)23(29-16-8-15-26)24(18)30-19-9-4-2-5-10-19/h2-7,9-14,17,26H,8,15-16H2,1H3
InChIKey LAUICBWZGXDKPB-UHFFFAOYSA-N
Molecular Weight 453.571 g/mol
SMILES OCCCOc1c2cc[n](c2cc(c1Sc1ccccc1)C)S(=O)(=O)c1ccccc1
SPLASH splash10-0ufr-8351900000-f0dd307e55ff890a3b3d
Source of Spectrum E1-43-44-19
Wiley ID 1552860