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3-[(4'-Methoxyphenyl)sulfonyl]-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol
SpectraBase Compound ID A5W6YBINQZb
InChI InChI=1S/C27H26O5S/c1-15-12-17(3)24-16(2)6-11-21-22(25(24)18(4)13-15)14-23(28)27(26(21)29)33(30,31)20-9-7-19(32-5)8-10-20/h6-14,28-29H,1-5H3
InChIKey DPOOFKJJMBMURX-UHFFFAOYSA-N
Mol Weight 462.56 g/mol
Molecular Formula C27H26O5S
Exact Mass 462.150095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLYP1uOXT5Y
Name 3-[(4'-Methoxyphenyl)sulfonyl]-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol
Alternate Name(s) 3-[(4-methoxyphenyl)sulfonyl]-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26O5S
InChI InChI=1S/C27H26O5S/c1-15-12-17(3)24-16(2)6-11-21-22(25(24)18(4)13-15)14-23(28)27(26(21)29)33(30,31)20-9-7-19(32-5)8-10-20/h6-14,28-29H,1-5H3
InChIKey DPOOFKJJMBMURX-UHFFFAOYSA-N
Molecular Weight 462.560 g/mol
SMILES Oc1c(c(c2C=CC(=C3C(c2c1)=C(C=C(C=C3C)C)C)C)O)S(c1ccc(cc1)OC)(=O)=O
SPLASH splash10-03dj-0010900000-3724afc28ab8322ad57f
Source of Spectrum H-82-386-2
Wiley ID 815331