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5,6,11,12-Tetrahydro-5,6-bis(methylthio)-5,6-bis(4'-pentenylsulfanyl)dibenzo[a,e]cyclooctene
SpectraBase Compound ID IyilvPPoqzv
InChI InChI=1S/C28H36S4/c1-5-7-13-21-31-27(29-3)25-17-11-9-15-23(25)19-20-24-16-10-12-18-26(24)28(27,30-4)32-22-14-8-6-2/h5-6,9-12,15-18H,1-2,7-8,13-14,19-22H2,3-4H3
InChIKey MPFRYKBQJGWVES-UHFFFAOYSA-N
Mol Weight 500.8 g/mol
Molecular Formula C28H36S4
Exact Mass 500.169986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 315TnY2PLEq
Name 5,6,11,12-Tetrahydro-5,6-bis(methylthio)-5,6-bis(4'-pentenylsulfanyl)dibenzo[a,e]cyclooctene
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Formula C28H36S4
InChI InChI=1S/C28H36S4/c1-5-7-13-21-31-27(29-3)25-17-11-9-15-23(25)19-20-24-16-10-12-18-26(24)28(27,30-4)32-22-14-8-6-2/h5-6,9-12,15-18H,1-2,7-8,13-14,19-22H2,3-4H3
InChIKey MPFRYKBQJGWVES-UHFFFAOYSA-N
Molecular Weight 500.836 g/mol
SMILES C1(C(c2c(cccc2)CCc2c1cccc2)(SC)SCCCC=C)(SC)SCCCC=C
SPLASH splash10-000j-0900010000-e1c8e2cc5726e046d14d
Source of Spectrum U-1996-1163-6
Synonyms 5,6,11,12-Tetrahydro-5,6-bis(methylthio)-5,6-bis(4'-pentenylsulfenyl)dibenzo[a,e]cyclooctene 5,6-bis(methylsulfanyl)-5,6-bis(4-pentenylsulfanyl)-5,6,11,12-tetrahydrodibenzo[a,e]cyclooctene
Wiley ID 768705