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1,4-Dihydroxy-2-(1'-hydroxy-3'-oxobutyl)-9,10-anthraquinone
SpectraBase Compound ID HFMLtaBTuKn
InChI InChI=1S/C18H14O6/c1-8(19)6-12(20)11-7-13(21)14-15(18(11)24)17(23)10-5-3-2-4-9(10)16(14)22/h2-5,7,12,20-21,24H,6H2,1H3
InChIKey FSQUJCXGXPDFNX-UHFFFAOYSA-N
Mol Weight 326.3 g/mol
Molecular Formula C18H14O6
Exact Mass 326.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QCD0QcMFIZ
Name 1,4-Dihydroxy-2-(1'-hydroxy-3'-oxobutyl)-9,10-anthraquinone
Alternate Name(s) 1,4-Dihydroxy-2-(1-hydroxy-3-oxobutyl)anthra-9,10-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14O6
InChI InChI=1S/C18H14O6/c1-8(19)6-12(20)11-7-13(21)14-15(18(11)24)17(23)10-5-3-2-4-9(10)16(14)22/h2-5,7,12,20-21,24H,6H2,1H3
InChIKey FSQUJCXGXPDFNX-UHFFFAOYSA-N
Molecular Weight 326.304 g/mol
SMILES Oc1c2c(c(c(c1)C(CC(=O)C)O)O)C(c1c(C2=O)cccc1)=O
SPLASH splash10-014i-0092000000-17c9e3f0ef1ce66deb50
Source of Spectrum JA-49-1203-0
Wiley ID 1324713