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2,3,7,8-Tetra-p-tolyldibenzo[b,d]thiophene
SpectraBase Compound ID IpWYtOGJpkZ
InChI InChI=1S/C40H32S/c1-25-5-13-29(14-6-25)33-21-37-38-22-34(30-15-7-26(2)8-16-30)36(32-19-11-28(4)12-20-32)24-40(38)41-39(37)23-35(33)31-17-9-27(3)10-18-31/h5-24H,1-4H3
InChIKey KJTCVUDZYPTGCK-UHFFFAOYSA-N
Mol Weight 544.8 g/mol
Molecular Formula C40H32S
Exact Mass 544.222472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jl5ZhumUmun
Name 2,3,7,8-Tetra-p-tolyldibenzo[b,d]thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H32S
InChI InChI=1S/C40H32S/c1-25-5-13-29(14-6-25)33-21-37-38-22-34(30-15-7-26(2)8-16-30)36(32-19-11-28(4)12-20-32)24-40(38)41-39(37)23-35(33)31-17-9-27(3)10-18-31/h5-24H,1-4H3
InChIKey KJTCVUDZYPTGCK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200057
Molecular Weight 544.756 g/mol
SMILES c12c(c3c(s2)cc(c(c3)-c2ccc(cc2)C)-c2ccc(cc2)C)cc(c(c1)-c1ccc(cc1)C)-c1ccc(cc1)C
SPLASH splash10-0kdl-7235590000-5732ce38741f2993f726
Source of Spectrum ASC-354-1819/SM11-4j
Wiley ID 1763137