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12d..beta.-Methyl-4b.beta,8b.beta,12b..beta.-tris(butylsulfanyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene

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12d..beta.-Methyl-4b.beta,8b.beta,12b..beta.-tris(butylsulfanyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
SpectraBase Compound ID LUBUaooC6ys
InChI InChI=1S/C35H42S3/c1-5-8-23-36-33-26-17-11-13-19-28(26)34(37-24-9-6-2)30-21-15-16-22-31(30)35(32(33,34)4,38-25-10-7-3)29-20-14-12-18-27(29)33/h11-22H,5-10,23-25H2,1-4H3/t32-,33-,34+,35-
InChIKey OLNQPMYCYADTJS-JBWBXQQCSA-N
Mol Weight 558.9 g/mol
Molecular Formula C35H42S3
Exact Mass 558.244865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KErDZ5T0yNs
Name 12d..beta.-Methyl-4b.beta,8b.beta,12b..beta.-tris(butylsulfanyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
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Formula C35H42S3
InChI InChI=1S/C35H42S3/c1-5-8-23-36-33-26-17-11-13-19-28(26)34(37-24-9-6-2)30-21-15-16-22-31(30)35(32(33,34)4,38-25-10-7-3)29-20-14-12-18-27(29)33/h11-22H,5-10,23-25H2,1-4H3/t32-,33-,34+,35-
InChIKey OLNQPMYCYADTJS-JBWBXQQCSA-N
Molecular Weight 558.901 g/mol
SMILES C12([C@]3(c4ccccc4[C@@]2(c2ccccc2[C@@]1(c1ccccc31)SCCCC)SCCCC)SCCCC)C
SPLASH splash10-014i-0133900000-942c810ba561fcde6db2
Source of Spectrum KC-57-3607-47
Synonyms 12d-Methyl-4b,8b,12b-tris(butylsulfanyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene 4b,8b,12b-tris(butylsulfanyl)-12d-methyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
Wiley ID 1623912