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1(10)-Methoxy-6-thia-1(1,8)-anthracena-4,8(1,3)dibenzacyclodeca-2,9-diynaphane
SpectraBase Compound ID psItduNelO
InChI InChI=1S/C33H22OS/c1-34-33-29-12-4-10-27-16-14-23-6-2-8-25(18-23)21-35-22-26-9-3-7-24(19-26)15-17-28-11-5-13-30(33)32(28)20-31(27)29/h2-13,18-20H,21-22H2,1H3
InChIKey KGSISZQDBCQFET-UHFFFAOYSA-N
Mol Weight 466.6 g/mol
Molecular Formula C33H22OS
Exact Mass 466.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tzcoMxkWeE
Name 1(10)-Methoxy-6-thia-1(1,8)-anthracena-4,8(1,3)dibenzacyclodeca-2,9-diynaphane
Comments Less than 3 mono-isotopic peaks
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Formula C33H22OS
InChI InChI=1S/C33H22OS/c1-34-33-29-12-4-10-27-16-14-23-6-2-8-25(18-23)21-35-22-26-9-3-7-24(19-26)15-17-28-11-5-13-30(33)32(28)20-31(27)29/h2-13,18-20H,21-22H2,1H3
InChIKey KGSISZQDBCQFET-UHFFFAOYSA-N
Molecular Weight 466.598 g/mol
SMILES c1(c2c3c(C#Cc4cc(CSCc5cc(C#Cc6c(c1ccc6)c3)ccc5)ccc4)ccc2)OC
SPLASH splash10-0uxr-0000900000-b6194a591e2c144a25c9
Source of Spectrum F-56-8343-35
Wiley ID 859043