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Benzoic acid, 3-chloro-4,6-dihydroxy-2,5-dimethyl-, 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
SpectraBase Compound ID 4EnVvC2751B
InChI InChI=1S/C21H23ClO7/c1-8-9(2)18(12(5)19(27-6)14(8)20(25)28-7)29-21(26)13-10(3)15(22)17(24)11(4)16(13)23/h23-24H,1-7H3
InChIKey MMOXVSMGSYNLDI-UHFFFAOYSA-N
Mol Weight 422.86 g/mol
Molecular Formula C21H23ClO7
Exact Mass 422.113231 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GQvy3XvOPi
Name Benzoic acid, 3-chloro-4,6-dihydroxy-2,5-dimethyl-, 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
CAS Registry Number 111258-42-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23ClO7
InChI InChI=1S/C21H23ClO7/c1-8-9(2)18(12(5)19(27-6)14(8)20(25)28-7)29-21(26)13-10(3)15(22)17(24)11(4)16(13)23/h23-24H,1-7H3
InChIKey MMOXVSMGSYNLDI-UHFFFAOYSA-N
Molecular Weight 422.861 g/mol
SMILES Oc1c(c(c(c(c1C)O)C(Oc1c(c(OC)c(c(c1C)C)C(=O)OC)C)=O)C)Cl
SPLASH splash10-0007-0920000000-e2db57b3ae41d7c842c4
Source of Spectrum B-40-1589-6
Synonyms 3-Methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl 3-chloro-4,6-dihydroxy-2,5-dimethylbenzoate Methyl 4-(5'-chloro-2',4'-dihydroxy-3',6'-dimethylbenzoyloxy)-2-methoxy-3,5,6-trimethylbenzoate (methyl 2'-O-methyleriodermate)
Wiley ID 1378513