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4-(4-chloro-2-methoxycarbonyl-3-methyl-5-phenylmethoxyphenoxy)-2-hydroxy-5-methoxy-3,6-dimethylbenzoic acid methyl ester
SpectraBase Compound ID Fg4cXAjkc4S
InChI InChI=1S/C27H27ClO8/c1-14-20(26(30)33-5)18(12-19(22(14)28)35-13-17-10-8-7-9-11-17)36-25-16(3)23(29)21(27(31)34-6)15(2)24(25)32-4/h7-12,29H,13H2,1-6H3
InChIKey MWJZOCXBALOOSU-UHFFFAOYSA-N
Mol Weight 514.96 g/mol
Molecular Formula C27H27ClO8
Exact Mass 514.139446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SfwZ8UpDHR
Name 4-(4-chloro-2-methoxycarbonyl-3-methyl-5-phenylmethoxyphenoxy)-2-hydroxy-5-methoxy-3,6-dimethylbenzoic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C27H27ClO8
InChI InChI=1S/C27H27ClO8/c1-14-20(26(30)33-5)18(12-19(22(14)28)35-13-17-10-8-7-9-11-17)36-25-16(3)23(29)21(27(31)34-6)15(2)24(25)32-4/h7-12,29H,13H2,1-6H3
InChIKey MWJZOCXBALOOSU-UHFFFAOYSA-N
Molecular Weight 514.958 g/mol
SMILES Oc1c(c(c(c(Oc2c(c(C)c(c(c2)OCc2ccccc2)Cl)C(=O)OC)c1C)OC)C)C(=O)OC
SPLASH splash10-0006-9000000000-a6b7e6c7797a2e6ba432
Source of Spectrum B-48-635-0
Synonyms 4-(5-benzoxy-2-carbomethoxy-4-chloro-3-methyl-phenoxy)-2-hydroxy-5-methoxy-3,6-dimethyl-benzoic acid methyl ester methyl 4-(4-chloranyl-2-methoxycarbonyl-3-methyl-5-phenylmethoxy-phenoxy)-3-methoxy-2,5-dimethyl-6-oxidanyl-benzoate methyl 4-(4-chloro-2-methoxycarbonyl-3-methyl-5-phenylmethoxyphenoxy)-2-hydroxy-5-methoxy-3,6-dimethylbenzoate
Wiley ID 1401092