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(E)-p-{{4-[(p-chlorophenyl)sulfonyl]-3-(p-tolylthio)-2-butenyl}-sulfonyl}anisole
SpectraBase Compound ID 3pzM40yNdUx
InChI InChI=1S/C24H23ClO5S3/c1-18-3-9-21(10-4-18)31-22(17-33(28,29)24-11-5-19(25)6-12-24)15-16-32(26,27)23-13-7-20(30-2)8-14-23/h3-15H,16-17H2,1-2H3/b22-15+
InChIKey QKKBUCNQWCDTHL-PXLXIMEGSA-N
Mol Weight 523.08 g/mol
Molecular Formula C24H23ClO5S3
Exact Mass 522.039615 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6TOQxHZpdcc
Name (E)-p-{{4-[(p-Chlorophenyl)sulfonyl]-3-(p-tolylthio)-2-butenyl}-sulfonyl}anisole
Comments Computed using HOSE algorithm
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Exact Mass 522.039615058 u
Formula C24H23ClO5S3
InChI InChI=1S/C24H23ClO5S3/c1-18-3-9-21(10-4-18)31-22(17-33(28,29)24-11-5-19(25)6-12-24)15-16-32(26,27)23-13-7-20(30-2)8-14-23/h3-15H,16-17H2,1-2H3/b22-15+
InChIKey QKKBUCNQWCDTHL-PXLXIMEGSA-N
Molecular Weight 523.076 g/mol
SMILES C=1C(=CC=C(C1)OC)S(=O)(=O)C\C=C/(SC=1C=CC(=CC1)C)CS(=O)(=O)C=1C=CC(=CC1)Cl