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methyl 5-chloro-4-hydroxy-2-(5'-hydroxy-2'-methoxy-4'-methoxycarbonyl-3',6'-dimethylphenoxy)-6-methylbenzoate
SpectraBase Compound ID 5gvUDOc5pIm
InChI InChI=1S/C20H21ClO8/c1-8-13(19(24)27-5)12(7-11(22)15(8)21)29-18-10(3)16(23)14(20(25)28-6)9(2)17(18)26-4/h7,22-23H,1-6H3
InChIKey LEZVJRYXMZDQML-UHFFFAOYSA-N
Mol Weight 424.83 g/mol
Molecular Formula C20H21ClO8
Exact Mass 424.092495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86IRpTRiuAw
Name methyl 5-chloro-4-hydroxy-2-(5'-hydroxy-2'-methoxy-4'-methoxycarbonyl-3',6'-dimethylphenoxy)-6-methylbenzoate
Alternate Name(s) methyl 4-[4-chloro-5-hydroxy-2-(methoxycarbonyl)-3-methylphenoxy]-2-hydroxy-5-methoxy-3,6-dimethylbenzoate
Comments Less than 3 mono-isotopic peaks
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Formula C20H21ClO8
InChI InChI=1S/C20H21ClO8/c1-8-13(19(24)27-5)12(7-11(22)15(8)21)29-18-10(3)16(23)14(20(25)28-6)9(2)17(18)26-4/h7,22-23H,1-6H3
InChIKey LEZVJRYXMZDQML-UHFFFAOYSA-N
Molecular Weight 424.833 g/mol
SMILES Oc1c(c(c(c(Oc2c(c(c(c(c2C)O)C(=O)OC)C)OC)c1)C(=O)OC)C)Cl
SPLASH splash10-014i-9000300000-dc6a53d24edc771204c7
Source of Spectrum B-48-635-0
Wiley ID 1379173