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5-(2-carbomethoxy-4-chloro-5-hydroxy-3-methyl-phenoxy)-2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester
SpectraBase Compound ID FAUz4se9t4Z
InChI InChI=1S/C19H19ClO8/c1-7-12(18(24)26-4)11(6-10(21)14(7)20)28-17-8(2)13(19(25)27-5)15(22)9(3)16(17)23/h6,21-23H,1-5H3
InChIKey DOEMPUXIDUIKNX-UHFFFAOYSA-N
Mol Weight 410.81 g/mol
Molecular Formula C19H19ClO8
Exact Mass 410.076845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UUIrRkWXcR
Name 5-(2-carbomethoxy-4-chloro-5-hydroxy-3-methyl-phenoxy)-2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C19H19ClO8
InChI InChI=1S/C19H19ClO8/c1-7-12(18(24)26-4)11(6-10(21)14(7)20)28-17-8(2)13(19(25)27-5)15(22)9(3)16(17)23/h6,21-23H,1-5H3
InChIKey DOEMPUXIDUIKNX-UHFFFAOYSA-N
Molecular Weight 410.806 g/mol
SMILES Oc1c(c(c(c(Oc2c(c(c(c(c2O)C)O)C(=O)OC)C)c1)C(=O)OC)C)Cl
SPLASH splash10-0a4i-9000000000-3cdbabe29353bb5f47f0
Source of Spectrum B-48-635-0
Synonyms 5-(4-chloro-5-hydroxy-2-methoxycarbonyl-3-methylphenoxy)-2,4-dihydroxy-3,6-dimethylbenzoic acid methyl ester methyl 3-(4-chloranyl-2-methoxycarbonyl-3-methyl-5-oxidanyl-phenoxy)-2,5-dimethyl-4,6-bis(oxidanyl)benzoate methyl 5-(4-chloro-5-hydroxy-2-methoxycarbonyl-3-methyl-phenoxy)-2,4-dihydroxy-3,6-dimethyl-benzoate
Wiley ID 1373530