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4-(2''-chloroprop-2''-enyloxy)-1-methoxy-2-(prop-2'-enyl)anthraquinone
SpectraBase Compound ID 4NpKUaENNFl
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/h4-6,8-10H,1-2,7,11H2,3H3
InChIKey FSFOIQRKCKKVNP-UHFFFAOYSA-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 9zL8WAZKLww
Name 4-(2''-chloroprop-2''-enyloxy)-1-methoxy-2-(prop-2'-enyl)anthraquinone
Alternate Name(s) 2-allyl-4-[(2-chloro-2-propenyl)oxy]-1-methoxyanthra-9,10-quinone 4-(2''-chloroprop-2''-enyloxy)-1-methoxy-2-(prop-2'-enyl)anthraquinone
Comments Less than 3 mono-isotopic peaks
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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/h4-6,8-10H,1-2,7,11H2,3H3
InChIKey FSFOIQRKCKKVNP-UHFFFAOYSA-N
Molecular Weight 368.816 g/mol
SMILES c12c(C(=O)c3c(C2=O)cccc3)c(OC)c(cc1OCC(=C)Cl)CC=C
SPLASH splash10-001i-0009000000-a4ce4cd64481542a73f3
Source of Spectrum B-47-1321-0
Wiley ID 1353041