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Benzenamine, N-[4-[(4-chlorophenyl)thio]-2-butynyl]-4-methoxy-N-[4-(phenylsulfonyl)-2-butynyl]-
SpectraBase Compound ID ErqxPrq1d4R
InChI InChI=1S/C27H24ClNO3S2/c1-32-25-15-13-24(14-16-25)29(19-5-7-21-33-26-17-11-23(28)12-18-26)20-6-8-22-34(30,31)27-9-3-2-4-10-27/h2-4,9-18H,19-22H2,1H3
InChIKey KUPZEKLZESPAPZ-UHFFFAOYSA-N
Mol Weight 510.07 g/mol
Molecular Formula C27H24ClNO3S2
Exact Mass 509.088614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dGwfKxNL7K
Name Benzenamine, N-[4-[(4-chlorophenyl)thio]-2-butynyl]-4-methoxy-N-[4-(phenylsulfonyl)-2-butynyl]-
CAS Registry Number 97479-57-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24ClNO3S2
InChI InChI=1S/C27H24ClNO3S2/c1-32-25-15-13-24(14-16-25)29(19-5-7-21-33-26-17-11-23(28)12-18-26)20-6-8-22-34(30,31)27-9-3-2-4-10-27/h2-4,9-18H,19-22H2,1H3
InChIKey KUPZEKLZESPAPZ-UHFFFAOYSA-N
Molecular Weight 510.066 g/mol
SMILES c1(S(=O)(=O)CC#CCN(c2ccc(cc2)OC)CC#CCSc2ccc(cc2)Cl)ccccc1
SPLASH splash10-00fr-2922000000-8c80b75be0d8e9eb4e4b
Source of Spectrum O-20-284-5
Synonyms N-(4'-phenylsulphonyl-2'-butynyl)-N-(4''-(4-chlorophenyl)thio-2''-butynyl)-para-anisidine N-(4'-phenylsulphonyl-2'-butynyl)-N-(4''-(4-chlorophenyl)thio-2''-butynyl)-para-anisidine N-{4-[(4-chlorophenyl)sulfanyl]-2-butynyl}-4-methoxy-N-[4-(phenylsulfonyl)-2-butynyl]aniline N-{4-[(4-chlorophenyl)sulfanyl]-2-butynyl}-N-(4-methoxyphenyl)-N-[4-(phenylsulfonyl)-2-butynyl]amine
Wiley ID 1400357