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(1R*,2R*,R*s)-2-Chloro-5-(4-methoxyphenyl)-1-phenyl-1-(phenylamino)-2-(p-tolylsulfinyl)pentane
SpectraBase Compound ID 3DSWPbfgrHt
InChI InChI=1S/C31H32ClNO2S/c1-24-15-21-29(22-16-24)36(34)31(32,23-9-10-25-17-19-28(35-2)20-18-25)30(26-11-5-3-6-12-26)33-27-13-7-4-8-14-27/h3-8,11-22,30,33H,9-10,23H2,1-2H3/t30-,31+,36?/m1/s1
InChIKey PGRHJVXVQJCYSU-VIUHWDBJSA-N
Mol Weight 518.1 g/mol
Molecular Formula C31H32ClNO2S
Exact Mass 517.184228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Mp4397XPl
Name (1R*,2R*,R*s)-2-Chloro-5-(4-methoxyphenyl)-1-phenyl-1-(phenylamino)-2-(p-tolylsulfinyl)pentane
Alternate Name(s) N-{(1R,2R)-2-chloro-5-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfinyl]-1-phenylpentyl}-N-phenylamine N-{(1R,2R)-2-chloro-5-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfinyl]-1-phenylpentyl}aniline
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Formula C31H32ClNO2S
InChI InChI=1S/C31H32ClNO2S/c1-24-15-21-29(22-16-24)36(34)31(32,23-9-10-25-17-19-28(35-2)20-18-25)30(26-11-5-3-6-12-26)33-27-13-7-4-8-14-27/h3-8,11-22,30,33H,9-10,23H2,1-2H3/t30-,31+,36?/m1/s1
InChIKey PGRHJVXVQJCYSU-VIUHWDBJSA-N
Molecular Weight 518.115 g/mol
SMILES N([C@@]([C@]([S@@](c1ccc(C)cc1)=O)(Cl)CCCc1ccc(OC)cc1)(c1ccccc1)[H])c1ccccc1
SPLASH splash10-00di-0901000000-4c0d109eaad01de8fe4b
Source of Spectrum KC-57-3897-22
Wiley ID 1624005