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Benzoic acid, 3-chloro-4-[[3-chloro-6-hydroxy-2-methyl-4-(phenylmethoxy)benzoyl]oxy]-2,6-dihydroxy-, phenylmethyl ester
SpectraBase Compound ID LcMud50Z1cK
InChI InChI=1S/C29H22Cl2O8/c1-16-23(19(32)12-21(25(16)30)37-14-17-8-4-2-5-9-17)29(36)39-22-13-20(33)24(27(34)26(22)31)28(35)38-15-18-10-6-3-7-11-18/h2-13,32-34H,14-15H2,1H3
InChIKey KCMXSRBFOUFQPR-UHFFFAOYSA-N
Mol Weight 569.39 g/mol
Molecular Formula C29H22Cl2O8
Exact Mass 568.069173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkWRO3psCKL
Name Benzoic acid, 3-chloro-4-[[3-chloro-6-hydroxy-2-methyl-4-(phenylmethoxy)benzoyl]oxy]-2,6-dihydroxy-, phenylmethyl ester
CAS Registry Number 131524-48-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H22Cl2O8
InChI InChI=1S/C29H22Cl2O8/c1-16-23(19(32)12-21(25(16)30)37-14-17-8-4-2-5-9-17)29(36)39-22-13-20(33)24(27(34)26(22)31)28(35)38-15-18-10-6-3-7-11-18/h2-13,32-34H,14-15H2,1H3
InChIKey KCMXSRBFOUFQPR-UHFFFAOYSA-N
Molecular Weight 569.393 g/mol
SMILES Oc1c(c(cc(c1Cl)OC(c1c(c(Cl)c(cc1O)OCc1ccccc1)C)=O)O)C(OCc1ccccc1)=O
SPLASH splash10-03di-0090000000-69dbc6feadf10a70cfdb
Source of Spectrum B-43-1752-7
Synonyms 4-[(benzyloxy)carbonyl]-2-chloro-3,5-dihydroxyphenyl 4-(benzyloxy)-3-chloro-6-hydroxy-2-methylbenzoate Benzyl 4-(4'-benzyloxy-3'-chloro-6'-hydroxy-2'-methylbenzoyloxy)-3-chloro-2,6-dihydroxybenzoate
Wiley ID 1407489