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Benzenamine, N-[4-[(4-chlorophenyl)thio]-2-butynyl]-4-methyl-N-[2-[(4-methylphenyl)thio]-2-propenyl]-
SpectraBase Compound ID JpKyoMVCjnX
InChI InChI=1S/C27H26ClNS2/c1-21-6-12-25(13-7-21)29(20-23(3)31-27-14-8-22(2)9-15-27)18-4-5-19-30-26-16-10-24(28)11-17-26/h6-17H,3,18-20H2,1-2H3
InChIKey ZGGKEJRKVDDLCF-UHFFFAOYSA-N
Mol Weight 464.09 g/mol
Molecular Formula C27H26ClNS2
Exact Mass 463.11952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQEMurp53LU
Name Benzenamine, N-[4-[(4-chlorophenyl)thio]-2-butynyl]-4-methyl-N-[2-[(4-methylphenyl)thio]-2-propenyl]-
CAS Registry Number 97840-81-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26ClNS2
InChI InChI=1S/C27H26ClNS2/c1-21-6-12-25(13-7-21)29(20-23(3)31-27-14-8-22(2)9-15-27)18-4-5-19-30-26-16-10-24(28)11-17-26/h6-17H,3,18-20H2,1-2H3
InChIKey ZGGKEJRKVDDLCF-UHFFFAOYSA-N
Molecular Weight 464.085 g/mol
SMILES C(CN(c1ccc(cc1)C)CC#CCSc1ccc(cc1)Cl)(Sc1ccc(cc1)C)=C
SPLASH splash10-006t-0901000000-6e7aced78faf19631d29
Source of Spectrum O-20-229-3
Synonyms N-(4'-(4-chlorophenyl)thio-2'-butynyl)-N-(2''-para-tolylthio-2''-propenyl)-para-toluidine N-(4'-(4-chlorophenyl)thio-2'-butynyl)-N-(2''-para-tolylthio-2''-propenyl)-para-toluidine N-{4-[(4-chlorophenyl)sulfanyl]-2-butynyl}-4-methyl-N-{2-[(4-methylphenyl)sulfanyl]-2-propenyl}aniline N-{4-[(4-chlorophenyl)sulfanyl]-2-butynyl}-N-(4-methylphenyl)-N-{2-[(4-methylphenyl)sulfanyl]-2-propenyl}amine
Wiley ID 1391325