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1-Methyl-4-[7-(4-methylphenyl)sulfonyl-2,6-bis(phenylseleno)heptyl]sulfonylbenzene

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1-Methyl-4-[7-(4-methylphenyl)sulfonyl-2,6-bis(phenylseleno)heptyl]sulfonylbenzene
SpectraBase Compound ID HjZCWr0Mst4
InChI InChI=1S/C33H36O4S2Se2/c1-26-16-20-28(21-17-26)38(34,35)24-32(40-30-10-5-3-6-11-30)14-9-15-33(41-31-12-7-4-8-13-31)25-39(36,37)29-22-18-27(2)19-23-29/h3-8,10-13,16-23,32-33H,9,14-15,24-25H2,1-2H3
InChIKey GXFJTINSVVIRMK-UHFFFAOYSA-N
Mol Weight 718.7 g/mol
Molecular Formula C33H36O4S2Se2
Exact Mass 720.038546 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6PgBqtdAiyN
Name 1-Methyl-4-[7-(4-methylphenyl)sulfonyl-2,6-bis(phenylseleno)heptyl]sulfonylbenzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 720.038545983 u
Formula C33H36O4S2Se2
InChI InChI=1S/C33H36O4S2Se2/c1-26-16-20-28(21-17-26)38(34,35)24-32(40-30-10-5-3-6-11-30)14-9-15-33(41-31-12-7-4-8-13-31)25-39(36,37)29-22-18-27(2)19-23-29/h3-8,10-13,16-23,32-33H,9,14-15,24-25H2,1-2H3
InChIKey GXFJTINSVVIRMK-UHFFFAOYSA-N
Molecular Weight 718.711 g/mol
SMILES C(S(C=1C=CC(=CC1)C)(=O)=O)C([Se]C=1C=CC=CC1)CCCC(CS(C=1C=CC(=CC1)C)(=O)=O)[Se]C=1C=CC=CC1