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3,9,16,22-Tetrathiapentacyclo[22.2.2.2(11,14).1(4,8).1(17,21)]dotriaconta-1(26),4,6,8(32),11,13,17,19,21(29),24,27,30-dodecaene, 12,13,25,26,27,28,30,31-octamethyl-
SpectraBase Compound ID BNJu7jE77YN
InChI InChI=1S/C36H40S4/c1-21-22(2)34-18-38-30-12-10-14-32(16-30)40-20-36-27(7)25(5)35(26(6)28(36)8)19-39-31-13-9-11-29(15-31)37-17-33(21)23(3)24(34)4/h9-16H,17-20H2,1-8H3
InChIKey MBLHONBWNIDYKB-UHFFFAOYSA-N
Mol Weight 601.0 g/mol
Molecular Formula C36H40S4
Exact Mass 600.201286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HF5Eqop6Hew
Name 3,9,16,22-Tetrathiapentacyclo[22.2.2.2(11,14).1(4,8).1(17,21)]dotriaconta-1(26),4,6,8(32),11,13,17,19,21(29),24,27,30-dodecaene, 12,13,25,26,27,28,30,31-octamethyl-
CAS Registry Number 60822-15-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H40S4
InChI InChI=1S/C36H40S4/c1-21-22(2)34-18-38-30-12-10-14-32(16-30)40-20-36-27(7)25(5)35(26(6)28(36)8)19-39-31-13-9-11-29(15-31)37-17-33(21)23(3)24(34)4/h9-16H,17-20H2,1-8H3
InChIKey MBLHONBWNIDYKB-UHFFFAOYSA-N
Molecular Weight 600.956 g/mol
SMILES c12c(c(C)c(c(c2C)C)CSc2cc(SCc3c(c(c(CSc4cc(SC1)ccc4)c(c3C)C)C)C)ccc2)C
SPLASH splash10-03di-0900001000-73be1fe4fc38a6a4e440
Source of Spectrum F-32-2569-1
Synonyms 1,10,17,26-Tetrathio[2,2,2,2]-4,5,7,8,20,21,23,24-octamethylmetaparacyclophane
Wiley ID 1410160