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(Ss,4R)-1-(p-Methoxyphenyl)-4-methyl-6-phenyl-5-(p-tolylsulfinyl)-5,6-dehydropiperidin-2-one
SpectraBase Compound ID 22xwLt9TLBm
InChI InChI=1S/C26H25NO3S/c1-18-9-15-23(16-10-18)31(29)26-19(2)17-24(28)27(21-11-13-22(30-3)14-12-21)25(26)20-7-5-4-6-8-20/h4-16,19H,17H2,1-3H3/t19-,31?/m1/s1
InChIKey BPTWSHLIJHBHCY-MFUYNUFSSA-N
Mol Weight 431.55 g/mol
Molecular Formula C26H25NO3S
Exact Mass 431.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7q5Oe373koP
Name (Ss,4R)-1-(p-Methoxyphenyl)-4-methyl-6-phenyl-5-(p-tolylsulfinyl)-5,6-dehydropiperidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25NO3S
InChI InChI=1S/C26H25NO3S/c1-18-9-15-23(16-10-18)31(29)26-19(2)17-24(28)27(21-11-13-22(30-3)14-12-21)25(26)20-7-5-4-6-8-20/h4-16,19H,17H2,1-3H3/t19-,31?/m1/s1
InChIKey BPTWSHLIJHBHCY-MFUYNUFSSA-N
Molecular Weight 431.550 g/mol
SMILES C1(=C(N(c2ccc(cc2)OC)C(C[C@]1(C)[H])=O)c1ccccc1)[S@](c1ccc(cc1)C)=O
SPLASH splash10-03yi-1029500000-0c8b057bacf32359715e
Source of Spectrum QC-12-3181-8
Wiley ID 1634787