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3,5,5'-Trihydroxy-3'-methoxy-2,2'-binaphthalene-1,1',4,4'-tetrone
SpectraBase Compound ID DwuuJOtZTIz
InChI InChI=1S/C21H12O8/c1-29-21-15(17(25)9-5-3-7-11(23)13(9)20(21)28)14-16(24)8-4-2-6-10(22)12(8)18(26)19(14)27/h2-7,22-23,27H,1H3
InChIKey KSXPHKDYRWMPNF-UHFFFAOYSA-N
Mol Weight 392.32 g/mol
Molecular Formula C21H12O8
Exact Mass 392.053217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4WBlzL3OIo
Name 3,5,5'-Trihydroxy-3'-methoxy-2,2'-binaphthalene-1,1',4,4'-tetrone
CAS Registry Number 88381-87-7
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H12O8
InChI InChI=1S/C21H12O8/c1-29-21-15(17(25)9-5-3-7-11(23)13(9)20(21)28)14-16(24)8-4-2-6-10(22)12(8)18(26)19(14)27/h2-7,22-23,27H,1H3
InChIKey KSXPHKDYRWMPNF-UHFFFAOYSA-N
Molecular Weight 392.319 g/mol
SMILES Oc1c2C(C(=C(C(c2ccc1)=O)C1=C(C(c2c(cccc2C1=O)O)=O)OC)O)=O
SPLASH splash10-0006-4109000000-6798e74280039f1138a1
Source of Spectrum W5-1989-34915-30621
Wiley ID 1365745