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5,28:14,19-Diethano-7,4:12,15:18,21:26,1-tetramethenodibenzo[f,r][1,12]dithiacyclotetracosin, 2,3,8,10,11,16,17,22,23,25-decahydro-
SpectraBase Compound ID EjhwDkNySNe
InChI InChI=1S/C38H36S2/c1-2-28-14-24-10-12-40-22-26-19-33-7-5-31-17-25(18-32-6-8-34(20-26)38(33)37(31)32)21-39-11-9-23-13-27(1)35-29(15-23)3-4-30(16-24)36(28)35/h13-20H,1-12,21-22H2
InChIKey CKBZEUIFWVZOGX-UHFFFAOYSA-N
Mol Weight 556.8 g/mol
Molecular Formula C38H36S2
Exact Mass 556.225844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8IWSIdFytq
Name 5,28:14,19-Diethano-7,4:12,15:18,21:26,1-tetramethenodibenzo[f,r][1,12]dithiacyclotetracosin, 2,3,8,10,11,16,17,22,23,25-decahydro-
CAS Registry Number 88811-76-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H36S2
InChI InChI=1S/C38H36S2/c1-2-28-14-24-10-12-40-22-26-19-33-7-5-31-17-25(18-32-6-8-34(20-26)38(33)37(31)32)21-39-11-9-23-13-27(1)35-29(15-23)3-4-30(16-24)36(28)35/h13-20H,1-12,21-22H2
InChIKey CKBZEUIFWVZOGX-UHFFFAOYSA-N
Molecular Weight 556.826 g/mol
SMILES c12-c3c4cc5cc3CCc1cc(cc2CC4)CSCCc1cc2CCc3cc(cc4c3-c2c(c1)CC4)CCSC5
SPLASH splash10-001i-0090030000-122063bc49d003acc5af
Source of Spectrum K-117-257-0
Synonyms 7,8,12,13,21,22,26,27-Octahydro-2,17-dithia[4.4](2,7)pyrenophane 8,27-dithianonacyclo[27.7.1.1(6,34).1(11,19).1(16,24).0(4,35).0(13,18).0(17,22).0(31,36)]tetraconta-1(36),4,6(38),11(40),12,16,18,22,24(39),29(37),30,34-dodecaene
Wiley ID 1406453