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6,12-dihydroxy-8-methyl-5,8,9,13-tetrahydro-7H-cyclohept[b]anthracene-5,13-dione
SpectraBase Compound ID DIRd0OkfqJs
InChI InChI=1S/C20H16O4/c1-10-5-4-8-13-14(9-10)20(24)16-15(19(13)23)17(21)11-6-2-3-7-12(11)18(16)22/h2-4,6-8,10,23-24H,5,9H2,1H3
InChIKey IQRZRIKXVIIKLZ-UHFFFAOYSA-N
Mol Weight 320.34 g/mol
Molecular Formula C20H16O4
Exact Mass 320.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K12uJ6sQEyx
Name 6,12-dihydroxy-8-methyl-5,8,9,13-tetrahydro-7H-cyclohept[b]anthracene-5,13-dione
Alternate Name(s) 6,12-dihydroxy-8-methyl-8,9-dihydro-5H-cyclohepta[b]anthracene-5,13(7H)-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O4
InChI InChI=1S/C20H16O4/c1-10-5-4-8-13-14(9-10)20(24)16-15(19(13)23)17(21)11-6-2-3-7-12(11)18(16)22/h2-4,6-8,10,23-24H,5,9H2,1H3
InChIKey IQRZRIKXVIIKLZ-UHFFFAOYSA-N
Molecular Weight 320.344 g/mol
SMILES Oc1c2c(c(c3c1C=CCC(C3)C)O)C(c1c(C2=O)cccc1)=O
SPLASH splash10-00di-0009000000-1aaa03c67bfe2868d18b
Source of Spectrum B-48-1089-0
Wiley ID 1320330