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Benzoic acid, 3-chloro-6-[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenoxy]-5- formyl-4-hydroxy-2-methyl-, methyl ester

View entire compound with spectra: 2 MS (GC)

Benzoic acid, 3-chloro-6-[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenoxy]-5- formyl-4-hydroxy-2-methyl-, methyl ester
SpectraBase Compound ID 6lwBMObVPOS
InChI InChI=1S/C20H19ClO9/c1-7-12(20(27)29-5)18(10(6-22)16(25)13(7)21)30-17-8(2)11(19(26)28-4)14(23)9(3)15(17)24/h6,23-25H,1-5H3
InChIKey INEZTTXEMONZOZ-UHFFFAOYSA-N
Mol Weight 438.82 g/mol
Molecular Formula C20H19ClO9
Exact Mass 438.07176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuxgQ8iJgrB
Name Benzoic acid, 3-chloro-6-[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenoxy]-5- formyl-4-hydroxy-2-methyl-, methyl ester
CAS Registry Number 64662-22-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClO9
InChI InChI=1S/C20H19ClO9/c1-7-12(20(27)29-5)18(10(6-22)16(25)13(7)21)30-17-8(2)11(19(26)28-4)14(23)9(3)15(17)24/h6,23-25H,1-5H3
InChIKey INEZTTXEMONZOZ-UHFFFAOYSA-N
Molecular Weight 438.816 g/mol
SMILES Oc1c(c(c(c(Oc2c(c(c(c(c2C)C(=O)OC)O)C)O)c1C=O)C(=O)OC)C)Cl
SPLASH splash10-0002-0009500000-d6954301e67e1ae4da51
Source of Spectrum I-55-2843-0
Synonyms Methyl 5-chloro-2-(2',4'-dihydroxy-5'-methoxycarbonyl-3',6'-dimethylphenoxy)-3-formyl-4-hydroxy-6-methylbenzoate Methyl 3-chloro-5-formyl-4-hydroxy-2-methyl-6-(3'-carbomethyoxy-4',6'-dihydroxy-2',5'-dimethyl)phenoxybenzoate Methyl 3-chloro-6-[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenoxy]-5-formyl-4-hydroxy-2-methylbenzoate
Wiley ID 1384020