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1,3-DIMESITYL-BENZO-[C]-THIOPHEN-4,5-CHINONE
SpectraBase Compound ID DOAGuEe3EIF
InChI InChI=1S/C26H24O2S/c1-13-9-15(3)21(16(4)10-13)25-19-7-8-20(27)24(28)23(19)26(29-25)22-17(5)11-14(2)12-18(22)6/h7-12H,1-6H3
InChIKey OCPJNYVYVKQUNC-UHFFFAOYSA-N
Mol Weight 400.54 g/mol
Molecular Formula C26H24O2S
Exact Mass 400.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28VvfQtI0Ms
Name 1,3-bis(2,4,6-trimethylphenyl)-2-benzothiophene-4,5-dione
CAS Registry Number 128709-96-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24O2S
InChI InChI=1S/C26H24O2S/c1-13-9-15(3)21(16(4)10-13)25-19-7-8-20(27)24(28)23(19)26(29-25)22-17(5)11-14(2)12-18(22)6/h7-12H,1-6H3
InChIKey OCPJNYVYVKQUNC-UHFFFAOYSA-N
Molecular Weight 400.536 g/mol
SMILES c12c(c(-c3c(cc(cc3C)C)C)sc1-c1c(cc(cc1C)C)C)C=CC(C2=O)=O
SPLASH splash10-0aba-2409300000-b0ea499ce387253547b2
Source of Spectrum K-123-2067-2
Synonyms 1,3-Dimesitylisobenzothiophene-4,5-quinone
Wiley ID 1369607