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4,9,18,23-Tetra(tert-butyl)-31,32,35,36-tetrathia-3,10,17,24-tetraazaheptacyclo[24.2.2.2(12,15).1(2,5).1(8,11).1(16,19).1(22,25)]-hexatriaconta-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26,29,33-hexadecaene
SpectraBase Compound ID CKjcZg7y2Oo
InChI InChI=1S/C44H48N4S4/c1-41(2,3)33-29-21-22-30-34(42(4,5)6)46-38(50-30)27-17-19-28(20-18-27)40-48-36(44(10,11)12)32(52-40)24-23-31-35(43(7,8)9)47-39(51-31)26-15-13-25(14-16-26)37(45-33)49-29/h13-24H,1-12H3/b22-21-,24-23-,29-21-,30-22-,31-23-,32-24-,37-25-,38-27-,39-26-,40-28-
InChIKey NONZWAMHPPLNLQ-VTGRBKQRSA-N
Mol Weight 761.1 g/mol
Molecular Formula C44H48N4S4
Exact Mass 760.276182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8zoCnqAGHh
Name 4,9,18,23-Tetra(tert-butyl)-31,32,35,36-tetrathia-3,10,17,24-tetraazaheptacyclo[24.2.2.2(12,15).1(2,5).1(8,11).1(16,19).1(22,25)]-hexatriaconta-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26,29,33-hexadecaene
Alternate Name(s) 1(4),3(4),6(4),8(4)-Tetra(tert-butyl)-1,3,8(2,5),6(5,2)-tetrathiazola-2,7(1,4)-dibenzenacyclodecaphan-4,9-dien (4Z,9Z)-1(4),3(4),6(4),8(4)-tetra-tert-butyl-1,3,8(2,5),6(5,2)-tetrathiazola-2,7(1,4)-dibenzenacyclodecaphane-4,9-diene
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Formula C44H48N4S4
InChI InChI=1S/C44H48N4S4/c1-41(2,3)33-29-21-22-30-34(42(4,5)6)46-38(50-30)27-17-19-28(20-18-27)40-48-36(44(10,11)12)32(52-40)24-23-31-35(43(7,8)9)47-39(51-31)26-15-13-25(14-16-26)37(45-33)49-29/h13-24H,1-12H3/b22-21-,24-23-,29-21-,30-22-,31-23-,32-24-,37-25-,38-27-,39-26-,40-28-
InChIKey NONZWAMHPPLNLQ-VTGRBKQRSA-N
Literature Reference DOI 10.1002_1522-2675(20000607)83_6_1161
Molecular Weight 761.136 g/mol
SMILES c-12sc(c(C(C)(C)C)n2)\C=C/c2c(nc(s2)-c2ccc(cc2)-c2nc(c(s2)\C=C/c2sc(nc2C(C)(C)C)-c2ccc1cc2)C(C)(C)C)C(C)(C)C
SPLASH splash10-03di-1000000900-233e0bfb5c15606b6908
Source of Spectrum H-83-1166-15
Wiley ID 1787509