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3,3',5,5'-Tetrahydroxy-7,7'-dimethyl-2,2'-binaphthalene-1,1',4,4'-tetrone
SpectraBase Compound ID DeTpYlkQlIt
InChI InChI=1S/C22H14O8/c1-7-3-9-13(11(23)5-7)19(27)21(29)15(17(9)25)16-18(26)10-4-8(2)6-12(24)14(10)20(28)22(16)30/h3-6,23-24,29-30H,1-2H3
InChIKey XKIARLRNUJRXJM-UHFFFAOYSA-N
Mol Weight 406.35 g/mol
Molecular Formula C22H14O8
Exact Mass 406.068867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHtCmFKph1B
Name 3,3',5,5'-Tetrahydroxy-7,7'-dimethyl-2,2'-binaphthalene-1,1',4,4'-tetrone
CAS Registry Number 104505-80-8
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14O8
InChI InChI=1S/C22H14O8/c1-7-3-9-13(11(23)5-7)19(27)21(29)15(17(9)25)16-18(26)10-4-8(2)6-12(24)14(10)20(28)22(16)30/h3-6,23-24,29-30H,1-2H3
InChIKey XKIARLRNUJRXJM-UHFFFAOYSA-N
Molecular Weight 406.346 g/mol
SMILES Oc1cc(cc2C(C(C3=C(C(c4c(C3=O)cc(cc4O)C)=O)O)=C(C(c12)=O)O)=O)C
SPLASH splash10-0a4r-8912200000-f99a32a2144de950cd78
Source of Spectrum W5-1989-34902-30634
Wiley ID 1372099