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9,10-Anthracenedione, 1,4-dihydroxy-2-(3-hydroxybutyl)-
SpectraBase Compound ID 8wUJH8Ib5NT
InChI InChI=1S/C18H16O5/c1-9(19)6-7-10-8-13(20)14-15(16(10)21)18(23)12-5-3-2-4-11(12)17(14)22/h2-5,8-9,19-21H,6-7H2,1H3
InChIKey IUWNMLLIMWEWLT-UHFFFAOYSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C45jphwxmru
Name 9,10-Anthracenedione, 1,4-dihydroxy-2-(3-hydroxybutyl)-
Alternate Name(s) 1,4-Dihydroxy-2-(3-hydroxybutyl)-9,10-anthraquinone 1,4-Dihydroxy-2-(3-hydroxybutyl)anthra-9,10-quinone
CAS Registry Number 69016-73-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O5
InChI InChI=1S/C18H16O5/c1-9(19)6-7-10-8-13(20)14-15(16(10)21)18(23)12-5-3-2-4-11(12)17(14)22/h2-5,8-9,19-21H,6-7H2,1H3
InChIKey IUWNMLLIMWEWLT-UHFFFAOYSA-N
Molecular Weight 312.321 g/mol
SMILES Oc1c2c(c(cc1CCC(O)C)O)C(c1c(C2=O)cccc1)=O
SPLASH splash10-0ufr-0090000000-9b2618ba7ffeb9804657
Source of Spectrum K-111-3833-0
Wiley ID 1313315