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5,30:15,20-Diethano-7,4:13,16:22,19:28,1-tetramethenodibenzo[f,s][1,12]dithiacyclohexacosin, 2,3,8,10,11,12,17,18,23,24,25,27-dodecahydro-

View entire compound with spectra: 1 MS (GC)

5,30:15,20-Diethano-7,4:13,16:22,19:28,1-tetramethenodibenzo[f,s][1,12]dithiacyclohexacosin, 2,3,8,10,11,12,17,18,23,24,25,27-dodecahydro-
SpectraBase Compound ID 1cJFkiGRjuc
InChI InChI=1S/C40H40S2/c1-3-25-15-29-5-7-31-17-26(18-32-8-6-30(16-25)37(29)38(31)32)4-2-14-42-24-28-21-35-11-9-33-19-27(23-41-13-1)20-34-10-12-36(22-28)40(35)39(33)34/h15-22H,1-14,23-24H2
InChIKey LFCMUVLJNNCWRO-UHFFFAOYSA-N
Mol Weight 584.9 g/mol
Molecular Formula C40H40S2
Exact Mass 584.257144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ef5Z6G0efjR
Name 5,30:15,20-Diethano-7,4:13,16:22,19:28,1-tetramethenodibenzo[f,s][1,12]dithiacyclohexacosin, 2,3,8,10,11,12,17,18,23,24,25,27-dodecahydro-
CAS Registry Number 88811-83-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H40S2
InChI InChI=1S/C40H40S2/c1-3-25-15-29-5-7-31-17-26(18-32-8-6-30(16-25)37(29)38(31)32)4-2-14-42-24-28-21-35-11-9-33-19-27(23-41-13-1)20-34-10-12-36(22-28)40(35)39(33)34/h15-22H,1-14,23-24H2
InChIKey LFCMUVLJNNCWRO-UHFFFAOYSA-N
Molecular Weight 584.880 g/mol
SMILES c12-c3c4cc5cc3CCc1cc(cc2CC4)CSCCCc1cc2CCc3cc(cc4c3-c2c(c1)CC4)CCCSC5
SPLASH splash10-001i-0091050000-9762c51719319d9d457c
Source of Spectrum K-117-258-0
Synonyms 8,29-dithianonacyclo[29.7.1.1(6,36).1(12,20).1(17,25).0(4,37).0(14,19).0(18,23).0(33,38)]dotetraconta-1(38),4,6(40),12(42),13,17,19,23,25(41),31(39),32,36-dodecaene 8,9,13,14,23,24,28,29-Octahydro-2,19-dithia[5.5](2,7)pyrenophane
Wiley ID 1408904