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3-chloro-2-(4'-ethoxycarbonyl-5'-hydroxy-2'-methoxy-3'-methylphenoxy)-6-methoxybenzoic acid
SpectraBase Compound ID E1WsVZBqFeY
InChI InChI=1S/C19H19ClO8/c1-5-27-19(24)14-9(2)16(26-4)13(8-11(14)21)28-17-10(20)6-7-12(25-3)15(17)18(22)23/h6-8,21H,5H2,1-4H3,(H,22,23)
InChIKey TYOCICBHKSZREA-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 GmOmkMkBMjw
Name 3-chloro-2-(4'-ethoxycarbonyl-5'-hydroxy-2'-methoxy-3'-methylphenoxy)-6-methoxybenzoic acid
Alternate Name(s) 3-chloro-2-[4-(ethoxycarbonyl)-5-hydroxy-2-methoxy-3-methylphenoxy]-6-methoxybenzoic acid 3-chloro-2-(4-ethoxycarbonyl-5-hydroxy-2-methoxy-3-methylphenoxy)-6-methoxybenzoic acid 3-chloro-2-(4-ethoxycarbonyl-5-hydroxy-2-methoxy-3-methyl-phenoxy)-6-methoxy-benzoic acid 3-chloranyl-2-(4-ethoxycarbonyl-2-methoxy-3-methyl-5-oxidanyl-phenoxy)-6-methoxy-benzoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C19H19ClO8
InChI InChI=1S/C19H19ClO8/c1-5-27-19(24)14-9(2)16(26-4)13(8-11(14)21)28-17-10(20)6-7-12(25-3)15(17)18(22)23/h6-8,21H,5H2,1-4H3,(H,22,23)
InChIKey TYOCICBHKSZREA-UHFFFAOYSA-N
Molecular Weight 410.806 g/mol
SMILES Oc1cc(Oc2c(C(=O)O)c(ccc2Cl)OC)c(c(c1C(=O)OCC)C)OC
SPLASH splash10-001i-0900000000-2327528a3af31f72836b
Source of Spectrum B-46-95-0
Wiley ID 1373528