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(E,E,E)-1,6,11,16-Tetrakis[(2,4,6-triisopropylphenyl)sulfonyl]-1,6,11,16-tetraazacycloicosa-3,8,13,18-tetraene
SpectraBase Compound ID KCru62BxAHb
InChI InChI=1S/C76H116N4O8S4/c1-49(2)61-41-65(53(9)10)73(66(42-61)54(11)12)89(81,82)77-33-25-27-35-78(90(83,84)74-67(55(13)14)43-62(50(3)4)44-68(74)56(15)16)37-29-31-39-80(92(87,88)76-71(59(21)22)47-64(52(7)8)48-72(76)60(23)24)40-32-30-38-79(36-28-26-34-77)91(85,86)75-69(57(17)18)45-63(51(5)6)46-70(75)58(19)20/h25-32,41-60H,33-40H2,1-24H3/b27-25-,28-26-,31-29-,32-30-
InChIKey IJHWIGBMWQWHDG-QKDICXLYSA-N
Mol Weight 1342.0 g/mol
Molecular Formula C76H116N4O8S4
Exact Mass 1340.767601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SLmpVcHBo
Name (E,E,E)-1,6,11,16-Tetrakis[(2,4,6-triisopropylphenyl)sulfonyl]-1,6,11,16-tetraazacycloicosa-3,8,13,18-tetraene
Alternate Name(s) (3Z,8Z,13Z,18Z)-1,6,11,16-tetrakis({[2,4,6-tris(propan-2-yl)benzene]sulfonyl})-1,6,11,16-tetraazacycloicosa-3,8,13,18-tetraene
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Formula C76H116N4O8S4
InChI InChI=1S/C76H116N4O8S4/c1-49(2)61-41-65(53(9)10)73(66(42-61)54(11)12)89(81,82)77-33-25-27-35-78(90(83,84)74-67(55(13)14)43-62(50(3)4)44-68(74)56(15)16)37-29-31-39-80(92(87,88)76-71(59(21)22)47-64(52(7)8)48-72(76)60(23)24)40-32-30-38-79(36-28-26-34-77)91(85,86)75-69(57(17)18)45-63(51(5)6)46-70(75)58(19)20/h25-32,41-60H,33-40H2,1-24H3/b27-25-,28-26-,31-29-,32-30-
InChIKey IJHWIGBMWQWHDG-QKDICXLYSA-N
Molecular Weight 1342.024 g/mol
SMILES c1(S(N2C\C=C/CN(S(c3c(cc(cc3C(C)C)C(C)C)C(C)C)(=O)=O)C\C=C/CN(S(c3c(cc(cc3C(C)C)C(C)C)C(C)C)(=O)=O)C\C=C/CN(S(c3c(cc(cc3C(C)C)C(C)C)C(C)C)(=O)=O)C\C=C/C2)(=O)=O)c(cc(cc1C(C)C)C(C)C)C(C)C
SPLASH splash10-00mo-9760010010-5b01e3226a2ead1a3aea
Source of Spectrum F-54-14899-16
Wiley ID 809768