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Benzenemethanamine, 4-chloro-.alpha.-[1-chloro-1-[(4-methylphenyl)sulfinyl]undecyl]-N-phenyl-, [.alpha.R*(1R*)]-(.+-.)-
SpectraBase Compound ID 4JZedmADMNw
InChI InChI=1S/C31H39Cl2NOS/c1-3-4-5-6-7-8-9-13-24-31(33,36(35)29-22-16-25(2)17-23-29)30(26-18-20-27(32)21-19-26)34-28-14-11-10-12-15-28/h10-12,14-23,30,34H,3-9,13,24H2,1-2H3/t30-,31+,36?/m1/s1
InChIKey CXGWZFIALQUKGE-VIUHWDBJSA-N
Mol Weight 544.6 g/mol
Molecular Formula C31H39Cl2NOS
Exact Mass 543.212941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CH5lvnTT3WS
Name Benzenemethanamine, 4-chloro-.alpha.-[1-chloro-1-[(4-methylphenyl)sulfinyl]undecyl]-N-phenyl-, [.alpha.R*(1R*)]-(.+-.)-
CAS Registry Number 122406-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H39Cl2NOS
InChI InChI=1S/C31H39Cl2NOS/c1-3-4-5-6-7-8-9-13-24-31(33,36(35)29-22-16-25(2)17-23-29)30(26-18-20-27(32)21-19-26)34-28-14-11-10-12-15-28/h10-12,14-23,30,34H,3-9,13,24H2,1-2H3/t30-,31+,36?/m1/s1
InChIKey CXGWZFIALQUKGE-VIUHWDBJSA-N
Molecular Weight 544.625 g/mol
SMILES N([C@@]([C@](S(c1ccc(cc1)C)=O)(Cl)CCCCCCCCCC)(c1ccc(cc1)Cl)[H])c1ccccc1
SPLASH splash10-0fb9-0091400000-f8d281dc77998032cf88
Source of Spectrum J-54-3976-5
Synonyms 2-Chloro-1-(phenylamino-1-(p-chlorophenyl-2-(p-tolylsulfoxo)-dodecane N-{(1R,2R)-2-chloro-1-(4-chlorophenyl)-2-[(4-methylphenyl)sulfinyl]dodecyl}-N-phenylamine N-{(1R,2R)-2-chloro-1-(4-chlorophenyl)-2-[(4-methylphenyl)sulfinyl]dodecyl}aniline
Wiley ID 1404956