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2-(2'-chloroprop-2'-enyl)-1,4-dimethoxy-3-(prop-2''-enyl)anthraquinone
SpectraBase Compound ID KGCRpAc1FqT
InChI InChI=1S/C22H19ClO4/c1-5-8-15-16(11-12(2)23)22(27-4)18-17(21(15)26-3)19(24)13-9-6-7-10-14(13)20(18)25/h5-7,9-10H,1-2,8,11H2,3-4H3
InChIKey FFXPUPIANFSVKU-UHFFFAOYSA-N
Mol Weight 382.84 g/mol
Molecular Formula C22H19ClO4
Exact Mass 382.097187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oosSTN9iun
Name 2-(2'-chloroprop-2'-enyl)-1,4-dimethoxy-3-(prop-2''-enyl)anthraquinone
Comments Less than 3 mono-isotopic peaks
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Formula C22H19ClO4
InChI InChI=1S/C22H19ClO4/c1-5-8-15-16(11-12(2)23)22(27-4)18-17(21(15)26-3)19(24)13-9-6-7-10-14(13)20(18)25/h5-7,9-10H,1-2,8,11H2,3-4H3
InChIKey FFXPUPIANFSVKU-UHFFFAOYSA-N
Molecular Weight 382.843 g/mol
SMILES c12c(C(=O)c3c(C2=O)cccc3)c(OC)c(c(c1OC)CC(=C)Cl)CC=C
SPLASH splash10-001j-0009000000-7db84a64de15018a931b
Source of Spectrum B-47-1321-0
Synonyms 2-(2'-Chloroprop-2'-enyl)-1,4-dimethoxy-3-(prop-2''-enyl)anthraquinone 2-allyl-3-(2-chloro-2-propenyl)-1,4-dimethoxyanthra-9,10-quinone
Wiley ID 1360595