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Benzoic acid, 3-chloro-4-hydroxy-6-methoxy-2,5-dimethyl-, 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
SpectraBase Compound ID 2nkkZOaG3J1
InChI InChI=1S/C22H25ClO7/c1-9-10(2)18(13(5)20(28-7)14(9)21(25)29-8)30-22(26)15-11(3)16(23)17(24)12(4)19(15)27-6/h24H,1-8H3
InChIKey LQRMPHNVQCSBFU-UHFFFAOYSA-N
Mol Weight 436.89 g/mol
Molecular Formula C22H25ClO7
Exact Mass 436.128881 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdnSuGdcl7j
Name Benzoic acid, 3-chloro-4-hydroxy-6-methoxy-2,5-dimethyl-, 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
CAS Registry Number 111258-45-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25ClO7
InChI InChI=1S/C22H25ClO7/c1-9-10(2)18(13(5)20(28-7)14(9)21(25)29-8)30-22(26)15-11(3)16(23)17(24)12(4)19(15)27-6/h24H,1-8H3
InChIKey LQRMPHNVQCSBFU-UHFFFAOYSA-N
Molecular Weight 436.888 g/mol
SMILES Oc1c(c(c(C(Oc2c(c(OC)c(c(c2C)C)C(=O)OC)C)=O)c(c1C)OC)C)Cl
SPLASH splash10-03di-0190000000-a7d0a12f79f8461c51e2
Source of Spectrum B-40-1590-9
Synonyms 3-Methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl 3-chloro-4-hydroxy-6-methoxy-2,5-dimethylbenzoate Methyl 4-(5'-chloro-4'-hydroxy-2'-methoxy-3',6'-dimethylbenzoyloxy)-2-methoxy-3,5,6-trimethylbenzoate (methyl 2,2'-di-O-methyleriodermate)
Wiley ID 1383442