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3,3'-Bis[(5''-tert-butylsulfanyl-2"-iodophenyl)ethynyl]tolane
SpectraBase Compound ID 11g0DUXf6Ee
InChI InChI=1S/C38H32I2S2/c1-37(2,3)41-33-19-21-35(39)31(25-33)17-15-29-11-7-9-27(23-29)13-14-28-10-8-12-30(24-28)16-18-32-26-34(20-22-36(32)40)42-38(4,5)6/h7-12,19-26H,1-6H3
InChIKey LHQIAXKTKIYMSY-UHFFFAOYSA-N
Mol Weight 806.6 g/mol
Molecular Formula C38H32I2S2
Exact Mass 806.003483 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cr76AyZe8k
Name 3,3'-Bis[(5''-tert-butylsulfanyl-2"-iodophenyl)ethynyl]tolane
Alternate Name(s) 4-(tert-butylthio)-2-[2-[3-[2-[3-[2-[5-(tert-butylthio)-2-iodophenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]-1-iodobenzene 4-tert-Butylsulfanyl-2-[2-[3-[2-[3-[2-(5-tert-butylsulfanyl-2-iodophenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]-1-iodobenzene 4-tert-Butylsulfanyl-2-[2-[3-[2-[3-[2-(5-tert-butylsulfanyl-2-iodo-phenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]-1-iodo-benzene 4-tert-Butylsulfanyl-2-[2-[3-[2-[3-[2-(5-tert-butylsulfanyl-2-iodanyl-phenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]-1-iodanyl-benzene
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Formula C38H32I2S2
InChI InChI=1S/C38H32I2S2/c1-37(2,3)41-33-19-21-35(39)31(25-33)17-15-29-11-7-9-27(23-29)13-14-28-10-8-12-30(24-28)16-18-32-26-34(20-22-36(32)40)42-38(4,5)6/h7-12,19-26H,1-6H3
InChIKey LHQIAXKTKIYMSY-UHFFFAOYSA-N
Molecular Weight 806.603 g/mol
SMILES C(#Cc1cc(C#Cc2cc(C#Cc3c(ccc(SC(C)(C)C)c3)I)ccc2)ccc1)c1c(ccc(SC(C)(C)C)c1)I
SPLASH splash10-0006-0000009000-7cfa5d6c76411123a0c7
Source of Spectrum K1-0-3822-32
Wiley ID 1589341