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(Ss,4S)-1-Benzyl-4-phenyl-6-propyl-5-(p-tolylsulfinyl)-5,6-dehydropiperidin-2-one
SpectraBase Compound ID 7Ghc5M77dTD
InChI InChI=1S/C28H29NO2S/c1-3-10-26-28(32(31)24-17-15-21(2)16-18-24)25(23-13-8-5-9-14-23)19-27(30)29(26)20-22-11-6-4-7-12-22/h4-9,11-18,25H,3,10,19-20H2,1-2H3/t25-,32?/m0/s1
InChIKey ZERFLPNLDHSSNR-HKIGIVDHSA-N
Mol Weight 443.61 g/mol
Molecular Formula C28H29NO2S
Exact Mass 443.1919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JNkYGF0nGv
Name (Ss,4S)-1-Benzyl-4-phenyl-6-propyl-5-(p-tolylsulfinyl)-5,6-dehydropiperidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29NO2S
InChI InChI=1S/C28H29NO2S/c1-3-10-26-28(32(31)24-17-15-21(2)16-18-24)25(23-13-8-5-9-14-23)19-27(30)29(26)20-22-11-6-4-7-12-22/h4-9,11-18,25H,3,10,19-20H2,1-2H3/t25-,32?/m0/s1
InChIKey ZERFLPNLDHSSNR-HKIGIVDHSA-N
Molecular Weight 443.605 g/mol
SMILES C1(=C(N(Cc2ccccc2)C(C[C@]1(c1ccccc1)[H])=O)CCC)[S@](c1ccc(cc1)C)=O
SPLASH splash10-0006-9001400000-d72f6828000113549727
Source of Spectrum QC-12-3181-12
Wiley ID 1634784