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4-(4-(tert-butyl)phenyl)-1-(4-methoxyphenyl)-9H-thioxanthen-9-one
SpectraBase Compound ID KQpShOuWU93
InChI InChI=1S/C30H26O2S/c1-30(2,3)21-13-9-20(10-14-21)24-18-17-23(19-11-15-22(32-4)16-12-19)27-28(31)25-7-5-6-8-26(25)33-29(24)27/h5-18H,1-4H3
InChIKey LLKBANOGCFLPKU-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C30H26O2S
Exact Mass 450.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISCPfB2qfrt
Name 4-(4-(tert-butyl)phenyl)-1-(4-methoxyphenyl)-9H-thioxanthen-9-one
Comments Less than 3 mono-isotopic peaks
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Formula C30H26O2S
InChI InChI=1S/C30H26O2S/c1-30(2,3)21-13-9-20(10-14-21)24-18-17-23(19-11-15-22(32-4)16-12-19)27-28(31)25-7-5-6-8-26(25)33-29(24)27/h5-18H,1-4H3
InChIKey LLKBANOGCFLPKU-UHFFFAOYSA-N
Molecular Weight 450.596 g/mol
SMILES c12c(Sc3c(C2=O)cccc3)c(-c2ccc(C(C)(C)C)cc2)ccc1-c1ccc(cc1)OC
SPLASH splash10-0udj-0000900000-157043458653653522fc
Source of Spectrum F-68-721-11c
Wiley ID 1707474