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6-Methyl-3-[2-[(1S)-1-methylsulfanylethyl]phenyl]selanyl-1-oxidanidyl-2-phenyl-2,3,4,5-tetrahydropyridin-1-ium
SpectraBase Compound ID 41uUuTJHUk4
InChI InChI=1S/C21H25NOSSe/c1-15-13-14-20(21(22(15)23)17-9-5-4-6-10-17)25-19-12-8-7-11-18(19)16(2)24-3/h4-12,16,20-21H,13-14H2,1-3H3/t16-,20?,21?/m0/s1
InChIKey PGZDCNYJMVZKFM-ATIQYGATSA-N
Mol Weight 418.47 g/mol
Molecular Formula C21H25NOSSe
Exact Mass 419.082208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rYsrA87jqa
Name 6-Methyl-3-[2-[(1S)-1-methylsulfanylethyl]phenyl]selanyl-1-oxidanidyl-2-phenyl-2,3,4,5-tetrahydropyridin-1-ium
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NOSSe
InChI InChI=1S/C21H25NOSSe/c1-15-13-14-20(21(22(15)23)17-9-5-4-6-10-17)25-19-12-8-7-11-18(19)16(2)24-3/h4-12,16,20-21H,13-14H2,1-3H3/t16-,20?,21?/m0/s1
InChIKey PGZDCNYJMVZKFM-ATIQYGATSA-N
Molecular Weight 418.469 g/mol
SMILES C1([N+](=C(CCC1[Se]c1c([C@@](SC)(C)[H])cccc1)C)[O-])c1ccccc1
SPLASH splash10-00di-1900000000-052dcfab80084602e721
Source of Spectrum QC-12-3302-9
Synonyms 6-Methyl-3-[2-[(1S)-1-methylsulfanylethyl]phenyl]selanyl-1-oxido-2-phenyl-2,3,4,5-tetrahydropyridin-1-ium 6-Methyl-3-[[2-[(1S)-1-(methylthio)ethyl]phenyl]seleno]-1-oxido-2-phenyl-2,3,4,5-tetrahydropyridin-1-ium
Wiley ID 1634830