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4,9,14,19,24,29-Hexa(tert-butyl)-31,32,33,34,35,36-hexathia-3,10,13,20,23,30-hexaazaheptacyclo[26.2.1.1(2,5).1(8,11).1(12,15).1(18,21).1(22,25)]hexatriaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecane
SpectraBase Compound ID lZ8UxJxPOI
InChI InChI=1S/C48H60N6S6/c1-43(2,3)31-25-19-20-26-32(44(4,5)6)51-39(57-26)40-52-35(47(13,14)15)29(58-40)23-24-30-36(48(16,17)18)54-42(60-30)41-53-34(46(10,11)12)28(59-41)22-21-27-33(45(7,8)9)50-38(56-27)37(49-31)55-25/h19-24H,1-18H3/b20-19-,22-21-,24-23-,25-19-,26-20-,27-21-,28-22-,29-23-,30-24-,38-37-,40-39-,42-41-
InChIKey MFUYIFQNQDWHLW-JVZSGDBUSA-N
Mol Weight 913.4 g/mol
Molecular Formula C48H60N6S6
Exact Mass 912.320373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ulQDK6Oojr
Name 4,9,14,19,24,29-Hexa(tert-butyl)-31,32,33,34,35,36-hexathia-3,10,13,20,23,30-hexaazaheptacyclo[26.2.1.1(2,5).1(8,11).1(12,15).1(18,21).1(22,25)]hexatriaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecane
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Formula C48H60N6S6
InChI InChI=1S/C48H60N6S6/c1-43(2,3)31-25-19-20-26-32(44(4,5)6)51-39(57-26)40-52-35(47(13,14)15)29(58-40)23-24-30-36(48(16,17)18)54-42(60-30)41-53-34(46(10,11)12)28(59-41)22-21-27-33(45(7,8)9)50-38(56-27)37(49-31)55-25/h19-24H,1-18H3/b20-19-,22-21-,24-23-,25-19-,26-20-,27-21-,28-22-,29-23-,30-24-,38-37-,40-39-,42-41-
InChIKey MFUYIFQNQDWHLW-JVZSGDBUSA-N
Literature Reference DOI 10.1002_1522-2675(20000607)83_6_1161
Molecular Weight 913.410 g/mol
SMILES c12\C=C/c3sc(nc3C(C)(C)C)-c3nc(C(C)(C)C)c(s3)\C=C/c3c(nc(s3)-c3nc(C(C)(C)C)c(s3)\C=C/c3c(C(C)(C)C)nc(s3)-c(nc1C(C)(C)C)s2)C(C)(C)C
SPLASH splash10-03di-0000000019-b4883fbb5b0a87047aba
Source of Spectrum H-83-1166-14
Synonyms 5,10,15,20,25,30-Hexa(tert-butyl)-2,29:3,6:9,12:13,16:19,22:23,26-hexaepithio-1,4,11,14,21,24-hexaaza[30]annulene 1(4),2(4),5(4),6(4),9(4),10(4)-hexa-tert-butyl-1,2,6,10(2,5),5,9(5,2)-hexathiazolacyclododecaphane-3,7,11-triene
Wiley ID 1787508