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3-Methylsulphanyl-1-phenyl-7-phenylsulphonyl-6,7-dihydro-5H-[2]-pyridine
SpectraBase Compound ID DedoMNsLUm2
InChI InChI=1S/C21H19NO2S2/c1-25-19-14-16-12-13-18(26(23,24)17-10-6-3-7-11-17)20(16)21(22-19)15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3
InChIKey BHWFVRQCAXOXFT-UHFFFAOYSA-N
Mol Weight 381.51 g/mol
Molecular Formula C21H19NO2S2
Exact Mass 381.085721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7W5uqKGkn5a
Name 3-Methylsulphanyl-1-phenyl-7-phenylsulphonyl-6,7-dihydro-5H-[2]-pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO2S2
InChI InChI=1S/C21H19NO2S2/c1-25-19-14-16-12-13-18(26(23,24)17-10-6-3-7-11-17)20(16)21(22-19)15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3
InChIKey BHWFVRQCAXOXFT-UHFFFAOYSA-N
Molecular Weight 381.508 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)c2c(nc(SC)cc2CC1)-c1ccccc1
SPLASH splash10-0006-0290000000-3df95656956f0a9d01bd
Source of Spectrum E2-50-466-16
Synonyms 7-(benzenesulfonyl)-3-(methylthio)-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine 7-(benzenesulfonyl)-3-methylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine 3-Methylsulfanyl-1-phenyl-7-(phenylsulfonyl)-6,7-dihydro-5H-cyclopenta[c]pyridine
Wiley ID 1555852