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2-(2'-chloroprop-2'-enyl)-1,4-dihydroxy-3-(prop-1''-enyl)anthraquinone
SpectraBase Compound ID 1JSpenkKAIK
InChI InChI=1S/C20H15ClO4/c1-3-6-11-14(9-10(2)21)20(25)16-15(17(11)22)18(23)12-7-4-5-8-13(12)19(16)24/h3-8,22,25H,2,9H2,1H3/b6-3+
InChIKey LBIXUFCAJCDPSR-ZZXKWVIFSA-N
Mol Weight 354.79 g/mol
Molecular Formula C20H15ClO4
Exact Mass 354.065887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2d9T1dBZGOH
Name 2-(2'-chloroprop-2'-enyl)-1,4-dihydroxy-3-(prop-1''-enyl)anthraquinone
Comments Less than 3 mono-isotopic peaks
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Formula C20H15ClO4
InChI InChI=1S/C20H15ClO4/c1-3-6-11-14(9-10(2)21)20(25)16-15(17(11)22)18(23)12-7-4-5-8-13(12)19(16)24/h3-8,22,25H,2,9H2,1H3/b6-3+
InChIKey LBIXUFCAJCDPSR-ZZXKWVIFSA-N
Molecular Weight 354.789 g/mol
SMILES Oc1c2c(c(c(c1\C=C\C)CC(=C)Cl)O)C(c1c(C2=O)cccc1)=O
SPLASH splash10-014i-0009000000-5e7c6d52921e75abfe86
Source of Spectrum B-47-1321-0
Synonyms 2-(2'-Chloroprop-2'-enyl)-1,4-dihydroxy-3-(prop-1''-enyl)anthraquinone 2-(2-chloro-2-propenyl)-1,4-dihydroxy-3-[(1E)-1-propenyl]anthra-9,10-quinone
Wiley ID 1344529