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(E,E,E)-1,6,11-Tris[(2,4,6-triisopropylphenyl)sulfonyl]-1,6,11-triazacyclopentadeca-3,8,13-triene
SpectraBase Compound ID 5dxgXOMxynB
InChI InChI=1S/C57H87N3O6S3/c1-37(2)46-31-49(40(7)8)55(50(32-46)41(9)10)67(61,62)58-25-19-21-27-59(68(63,64)56-51(42(11)12)33-47(38(3)4)34-52(56)43(13)14)29-23-24-30-60(28-22-20-26-58)69(65,66)57-53(44(15)16)35-48(39(5)6)36-54(57)45(17)18/h19-24,31-45H,25-30H2,1-18H3/b21-19+,22-20+,24-23+
InChIKey UDJZEDRZCHHKPO-MTUVDMBNSA-N
Mol Weight 1006.5 g/mol
Molecular Formula C57H87N3O6S3
Exact Mass 1005.575701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsxRYCkmRhp
Name (E,E,E)-1,6,11-Tris[(2,4,6-triisopropylphenyl)sulfonyl]-1,6,11-triazacyclopentadeca-3,8,13-triene
Alternate Name(s) (3E,8E,13E)-1,6,11-tris[[2,4,6-tri(propan-2-yl)phenyl]sulfonyl]-1,6,11-triazacyclopentadeca-3,8,13-triene
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Formula C57H87N3O6S3
InChI InChI=1S/C57H87N3O6S3/c1-37(2)46-31-49(40(7)8)55(50(32-46)41(9)10)67(61,62)58-25-19-21-27-59(68(63,64)56-51(42(11)12)33-47(38(3)4)34-52(56)43(13)14)29-23-24-30-60(28-22-20-26-58)69(65,66)57-53(44(15)16)35-48(39(5)6)36-54(57)45(17)18/h19-24,31-45H,25-30H2,1-18H3/b21-19+,22-20+,24-23+
InChIKey UDJZEDRZCHHKPO-MTUVDMBNSA-N
Molecular Weight 1006.518 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\C2)(=O)=O)c(cc(cc1C(C)C)C(C)C)C(C)C
SPLASH splash10-0006-9020200000-22878c270d8bc57a0906
Source of Spectrum F-54-14898-14f
Wiley ID 809769