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cis-3,10,18,25-Tetrathiapentacyclo[25.3.1.2(5,8).1(12,16).2(20,23)]hentriaconta-5,7,20,22,32,35-hexaene
SpectraBase Compound ID 4Eg5oLSR0nJ
InChI InChI=1S/C32H44S4/c1-3-29-15-30(4-1)22-34-18-26-9-13-28(14-10-26)20-36-24-32-6-2-5-31(16-32)23-35-19-27-11-7-25(8-12-27)17-33-21-29/h7-14,29-32H,1-6,15-24H2
InChIKey WYCUMERDNKSWFY-UHFFFAOYSA-N
Mol Weight 556.9 g/mol
Molecular Formula C32H44S4
Exact Mass 556.232586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcmpdTzQn2n
Name cis-3,10,18,25-Tetrathiapentacyclo[25.3.1.2(5,8).1(12,16).2(20,23)]hentriaconta-5,7,20,22,32,35-hexaene
Comments Less than 3 mono-isotopic peaks
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Formula C32H44S4
InChI InChI=1S/C32H44S4/c1-3-29-15-30(4-1)22-34-18-26-9-13-28(14-10-26)20-36-24-32-6-2-5-31(16-32)23-35-19-27-11-7-25(8-12-27)17-33-21-29/h7-14,29-32H,1-6,15-24H2
InChIKey WYCUMERDNKSWFY-UHFFFAOYSA-N
Molecular Weight 556.944 g/mol
SMILES C1SCC2CC(CSCc3ccc(CSCC4CC(CSCc5ccc1cc5)CCC4)cc3)CCC2
SPLASH splash10-000i-0900000000-66210f8a65eddf6f43da
Source of Spectrum KC-0-1728-18
Synonyms 3,11,18,26-tetrathiapentacyclo[26.2.2.2(13,16).1(5,9).1(20,24)]hexatriaconta-1(30),13,15,28,31,33-hexaene cis-3,12,20,29-Tetrathiapentacyclo[29.3.1.1(5,10).1(14,18).1(22,27)]hexatriaconta-5,7,9,22,24,26-hexaene
Wiley ID 828463