For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzenamine, N-[4-[(4-chlorophenyl)sulfonyl]-2-butynyl]-4-methyl-N-[4-(phenylthio)-2-butynyl]-
SpectraBase Compound ID CHr8wYPEjx8
InChI InChI=1S/C27H24ClNO2S2/c1-23-11-15-25(16-12-23)29(19-5-7-21-32-26-9-3-2-4-10-26)20-6-8-22-33(30,31)27-17-13-24(28)14-18-27/h2-4,9-18H,19-22H2,1H3
InChIKey BJWYERQWIGIPOK-UHFFFAOYSA-N
Mol Weight 494.07 g/mol
Molecular Formula C27H24ClNO2S2
Exact Mass 493.093699 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CXIlWamLRpE
Name Benzenamine, N-[4-[(4-chlorophenyl)sulfonyl]-2-butynyl]-4-methyl-N-[4-(phenylthio)-2-butynyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.093699063 u
Formula C27H24ClNO2S2
InChI InChI=1S/C27H24ClNO2S2/c1-23-11-15-25(16-12-23)29(19-5-7-21-32-26-9-3-2-4-10-26)20-6-8-22-33(30,31)27-17-13-24(28)14-18-27/h2-4,9-18H,19-22H2,1H3
InChIKey BJWYERQWIGIPOK-UHFFFAOYSA-N
Molecular Weight 494.067 g/mol
SMILES C=1(S(=O)(=O)CC#CCN(C=2C=CC(=CC2)C)CC#CCSC2=CC=CC=C2)C=CC(=CC1)Cl