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1,6,11,16-Tetrakis[(2,4,6-triisopropylphenyl)sulfonyl]-1,6,11,16-tetraazacycloicosane
SpectraBase Compound ID 1CQR2RZDkab
InChI InChI=1S/C76H124N4O8S4/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/h41-60H,25-40H2,1-24H3
InChIKey HIZGRAIOPMXGKX-UHFFFAOYSA-N
Mol Weight 1350.1 g/mol
Molecular Formula C76H124N4O8S4
Exact Mass 1348.830202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F18tl0umth3
Name 1,6,11,16-Tetrakis[(2,4,6-triisopropylphenyl)sulfonyl]-1,6,11,16-tetraazacycloicosane
Alternate Name(s) 1,6,11,16-tetrakis({[2,4,6-tris(propan-2-yl)benzene]sulfonyl})-1,6,11,16-tetraazacycloicosane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C76H124N4O8S4
InChI InChI=1S/C76H124N4O8S4/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/h41-60H,25-40H2,1-24H3
InChIKey HIZGRAIOPMXGKX-UHFFFAOYSA-N
Molecular Weight 1350.088 g/mol
SMILES c1(S(N2CCCCN(S(c3c(cc(cc3C(C)C)C(C)C)C(C)C)(=O)=O)CCCCN(S(c3c(cc(cc3C(C)C)C(C)C)C(C)C)(=O)=O)CCCCN(S(c3c(cc(cc3C(C)C)C(C)C)C(C)C)(=O)=O)CCCC2)(=O)=O)c(cc(cc1C(C)C)C(C)C)C(C)C
SPLASH splash10-001l-9010000010-7a0b655300a4b830d562
Source of Spectrum F-54-14900-23
Wiley ID 809764