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Benzenamine, N-[4-[(4-chlorophenyl)thio]-2-butynyl]-N-[2-[(4-chlorophenyl)thio]-2-propenyl]-4-methyl-
SpectraBase Compound ID 3WEJOey0BH1
InChI InChI=1S/C26H23Cl2NS2/c1-20-5-11-24(12-6-20)29(19-21(2)31-26-15-9-23(28)10-16-26)17-3-4-18-30-25-13-7-22(27)8-14-25/h5-16H,2,17-19H2,1H3
InChIKey TYUWNDXLYFZTIH-UHFFFAOYSA-N
Mol Weight 484.5 g/mol
Molecular Formula C26H23Cl2NS2
Exact Mass 483.064897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16F2pfR210E
Name Benzenamine, N-[4-[(4-chlorophenyl)thio]-2-butynyl]-N-[2-[(4-chlorophenyl)thio]-2-propenyl]-4-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.064897493 u
Formula C26H23Cl2NS2
InChI InChI=1S/C26H23Cl2NS2/c1-20-5-11-24(12-6-20)29(19-21(2)31-26-15-9-23(28)10-16-26)17-3-4-18-30-25-13-7-22(27)8-14-25/h5-16H,2,17-19H2,1H3
InChIKey TYUWNDXLYFZTIH-UHFFFAOYSA-N
Molecular Weight 484.503 g/mol
SMILES C(CN(C1=CC=C(C=C1)C)CC#CCSC1=CC=C(C=C1)Cl)(SC1=CC=C(C=C1)Cl)=C