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Benzenamine, N-[4-[(4-chlorophenyl)thio]-2-butynyl]-4-methyl-N-[4-(phenylsulfonyl)-2-butynyl]-
SpectraBase Compound ID GX7kaAwhfnK
InChI InChI=1S/C27H24ClNO2S2/c1-23-11-15-25(16-12-23)29(19-5-7-21-32-26-17-13-24(28)14-18-26)20-6-8-22-33(30,31)27-9-3-2-4-10-27/h2-4,9-18H,19-22H2,1H3
InChIKey BEKYCYZOUWUNMI-UHFFFAOYSA-N
Mol Weight 494.07 g/mol
Molecular Formula C27H24ClNO2S2
Exact Mass 493.093699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52hXLTk0yGB
Name Benzenamine, N-[4-[(4-chlorophenyl)thio]-2-butynyl]-4-methyl-N-[4-(phenylsulfonyl)-2-butynyl]-
CAS Registry Number 97479-55-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24ClNO2S2
InChI InChI=1S/C27H24ClNO2S2/c1-23-11-15-25(16-12-23)29(19-5-7-21-32-26-17-13-24(28)14-18-26)20-6-8-22-33(30,31)27-9-3-2-4-10-27/h2-4,9-18H,19-22H2,1H3
InChIKey BEKYCYZOUWUNMI-UHFFFAOYSA-N
Molecular Weight 494.067 g/mol
SMILES c1(S(=O)(=O)CC#CCN(c2ccc(cc2)C)CC#CCSc2ccc(cc2)Cl)ccccc1
SPLASH splash10-0a4i-2941000000-3ede5ab43bffbd042653
Source of Spectrum O-20-284-5
Synonyms N-(4'-phenylsulphonyl-2'-butynyl)-N-(4''-(4-chlorophenyl)thio-2''-butynyl)-para-toluidine N-(4'-phenylsulphonyl-2'-butynyl)-N-(4''-(4-chlorophenyl)thio-2''-butynyl)-para-toluidine N-{4-[(4-chlorophenyl)sulfanyl]-2-butynyl}-4-methyl-N-[4-(phenylsulfonyl)-2-butynyl]aniline N-{4-[(4-chlorophenyl)sulfanyl]-2-butynyl}-N-(4-methylphenyl)-N-[4-(phenylsulfonyl)-2-butynyl]amine
Wiley ID 1397730