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PESTALONE
SpectraBase Compound ID G0wqYg823Mc
InChI InChI=1S/C21H20Cl2O6/c1-9(2)5-6-11-13(25)7-14(26)12(8-24)15(11)19(27)16-20(28)17(22)10(3)18(23)21(16)29-4/h5,7-8,25-26,28H,6H2,1-4H3
InChIKey ACRANQNXYMAQKJ-UHFFFAOYSA-N
Mol Weight 439.29 g/mol
Molecular Formula C21H20Cl2O6
Exact Mass 438.063694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuzgFXWryjQ
Name 2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methyl-benzoyl)-4,6-dihydroxy-3-(3-methylbut-2-enyl)benzaldehyde
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Formula C21H20Cl2O6
InChI InChI=1S/C21H20Cl2O6/c1-9(2)5-6-11-13(25)7-14(26)12(8-24)15(11)19(27)16-20(28)17(22)10(3)18(23)21(16)29-4/h5,7-8,25-26,28H,6H2,1-4H3
InChIKey ACRANQNXYMAQKJ-UHFFFAOYSA-N
Molecular Weight 439.291 g/mol
SMILES Oc1c(c(c(c(c1)O)CC=C(C)C)C(c1c(c(Cl)c(c(c1OC)Cl)C)O)=O)C=O
SPLASH splash10-052b-0004900000-1bf149ec0593da0482ae
Source of Spectrum G4-64-1446-1
Synonyms 2-[(3,5-dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-oxomethyl]-4,6-dihydroxy-3-(3-methylbut-2-enyl)benzaldehyde 2-[3,5-bis(chloranyl)-2-methoxy-4-methyl-6-oxidanyl-phenyl]carbonyl-3-(3-methylbut-2-enyl)-4,6-bis(oxidanyl)benzaldehyde Pestalone
Wiley ID 1609306