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3-[(4'-Methylphenyl)sulfonyl]-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol
SpectraBase Compound ID KeaQlCwBIbE
InChI InChI=1S/C27H26O4S/c1-15-6-9-20(10-7-15)32(30,31)27-23(28)14-22-21(26(27)29)11-8-17(3)24-18(4)12-16(2)13-19(5)25(22)24/h6-14,28-29H,1-5H3
InChIKey LJZHCGUMTITGIO-UHFFFAOYSA-N
Mol Weight 446.56 g/mol
Molecular Formula C27H26O4S
Exact Mass 446.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJXbHLT4kQA
Name 3-[(4'-Methylphenyl)sulfonyl]-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol
Alternate Name(s) 7,8,10,12-tetramethyl-3-[(4-methylphenyl)sulfonyl]benzo[a]heptalene-2,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26O4S
InChI InChI=1S/C27H26O4S/c1-15-6-9-20(10-7-15)32(30,31)27-23(28)14-22-21(26(27)29)11-8-17(3)24-18(4)12-16(2)13-19(5)25(22)24/h6-14,28-29H,1-5H3
InChIKey LJZHCGUMTITGIO-UHFFFAOYSA-N
Molecular Weight 446.561 g/mol
SMILES Oc1c(c(c2C=CC(=C3C(c2c1)=C(C=C(C=C3C)C)C)C)O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-000t-0110900000-c7e09e2bd1fd50fc9203
Source of Spectrum H-82-386-2
Wiley ID 815330