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4-Butanoyl-1,3,8-dihydroxy-6,8-dimethoxyanthraquinone
SpectraBase Compound ID 5qQ8mtq6SNQ
InChI InChI=1S/C20H18O7/c1-4-5-11(21)16-12(22)8-13(23)17-18(16)19(24)10-6-9(26-2)7-14(27-3)15(10)20(17)25/h6-8,22-23H,4-5H2,1-3H3
InChIKey AOKCOUGIDUFJFX-UHFFFAOYSA-N
Mol Weight 370.36 g/mol
Molecular Formula C20H18O7
Exact Mass 370.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48xJutvUnXq
Name 4-Butanoyl-1,3,8-dihydroxy-6,8-dimethoxyanthraquinone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O7
InChI InChI=1S/C20H18O7/c1-4-5-11(21)16-12(22)8-13(23)17-18(16)19(24)10-6-9(26-2)7-14(27-3)15(10)20(17)25/h6-8,22-23H,4-5H2,1-3H3
InChIKey AOKCOUGIDUFJFX-UHFFFAOYSA-N
Molecular Weight 370.357 g/mol
SMILES Oc1cc(c(c2c1C(c1c(C2=O)cc(cc1OC)OC)=O)C(=O)CCC)O
SPLASH splash10-004i-0009000000-f73f748b98a5f7e6e605
Source of Spectrum X2-50-1082-9
Wiley ID 1602494