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Benzenemethanamine, .alpha.-[1-chloro-1-[(4-methylphenyl)sulfinyl]-4-pentenyl]-N-phenyl-, [.alpha.R*(1R*)]-(.+-.)-
SpectraBase Compound ID BAsqNv1pXg4
InChI InChI=1S/C25H26ClNOS/c1-3-4-19-25(26,29(28)23-17-15-20(2)16-18-23)24(21-11-7-5-8-12-21)27-22-13-9-6-10-14-22/h3,5-18,24,27H,1,4,19H2,2H3/t24-,25+,29?/m1/s1
InChIKey MFYLMRQUJDLYKG-SYXMPNKISA-N
Mol Weight 424.0 g/mol
Molecular Formula C25H26ClNOS
Exact Mass 423.142363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Dd7wdDiTp3
Name Benzenemethanamine, .alpha.-[1-chloro-1-[(4-methylphenyl)sulfinyl]-4-pentenyl]-N-phenyl-, [.alpha.R*(1R*)]-(.+-.)-
CAS Registry Number 122406-23-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26ClNOS
InChI InChI=1S/C25H26ClNOS/c1-3-4-19-25(26,29(28)23-17-15-20(2)16-18-23)24(21-11-7-5-8-12-21)27-22-13-9-6-10-14-22/h3,5-18,24,27H,1,4,19H2,2H3/t24-,25+,29?/m1/s1
InChIKey MFYLMRQUJDLYKG-SYXMPNKISA-N
Molecular Weight 424.002 g/mol
SMILES N([C@@]([C@](S(c1ccc(cc1)C)=O)(Cl)CCC=C)(c1ccccc1)[H])c1ccccc1
SPLASH splash10-053r-0690000000-2ead3ddff75a8917b292
Source of Spectrum J-54-3976-5
Synonyms 2-Chloro-1-(phenylamino)-1-phenyl-2-(p-tolylsulfoxo)-5-hexene N-{(1R,2R)-2-chloro-2-[(4-methylphenyl)sulfinyl]-1-phenyl-5-hexenyl}-N-phenylamine N-{(1R,2R)-2-chloro-2-[(4-methylphenyl)sulfinyl]-1-phenyl-5-hexenyl}aniline
Wiley ID 1378983