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4-(2''-PROP-2''-ENYLOXY)-1-METHOXY-2-(PROP-1'-ENYL)-ANTHRAQUINONE
SpectraBase Compound ID auDLT2zTjW
InChI InChI=1S/C21H17ClO4/c1-4-7-13-10-16(26-11-12(2)22)17-18(21(13)25-3)20(24)15-9-6-5-8-14(15)19(17)23/h4-10H,2,11H2,1,3H3/b7-4+
InChIKey YBVNKXIAGWXHMW-QPJJXVBHSA-N
Mol Weight 368.82 g/mol
Molecular Formula C21H17ClO4
Exact Mass 368.081537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63bwNWMHLpk
Name 4-(2''-chloroprop-2''-enyloxy)-1-methoxy-2-(prop-1'-enyl)anthraquinone
Alternate Name(s) 4-(2''-chloroprop-2''-enyloxy)-1-methoxy-2-(prop-1'-enyl)anthraquinone 4-[(2-chloro-2-propenyl)oxy]-1-methoxy-2-[(1E)-1-propenyl]anthra-9,10-quinone
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Formula C21H17ClO4
InChI InChI=1S/C21H17ClO4/c1-4-7-13-10-16(26-11-12(2)22)17-18(21(13)25-3)20(24)15-9-6-5-8-14(15)19(17)23/h4-10H,2,11H2,1,3H3/b7-4+
InChIKey YBVNKXIAGWXHMW-QPJJXVBHSA-N
Molecular Weight 368.816 g/mol
SMILES c12c(C(=O)c3c(C2=O)cccc3)c(OC)c(cc1OCC(=C)Cl)\C=C\C
SPLASH splash10-001l-0089000000-c601748e768711f39fab
Source of Spectrum B-47-1321-0
Wiley ID 1353039