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Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2,5-dimethyl-, 3-hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
SpectraBase Compound ID 6C6FV77crSe
InChI InChI=1S/C21H23ClO7/c1-8-9(2)18(11(4)16(23)13(8)20(25)28-7)29-21(26)14-10(3)15(22)19(27-6)12(5)17(14)24/h23-24H,1-7H3
InChIKey ZTOKFCJAGRAWHH-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 517fCE3m84U
Name Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2,5-dimethyl-, 3-hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
CAS Registry Number 111258-44-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23ClO7
InChI InChI=1S/C21H23ClO7/c1-8-9(2)18(11(4)16(23)13(8)20(25)28-7)29-21(26)14-10(3)15(22)19(27-6)12(5)17(14)24/h23-24H,1-7H3
InChIKey ZTOKFCJAGRAWHH-UHFFFAOYSA-N
Molecular Weight 422.861 g/mol
SMILES Oc1c(c(OC(c2c(c(c(c(c2C)Cl)OC)C)O)=O)c(c(c1C(=O)OC)C)C)C
SPLASH splash10-03fr-0980000000-2e0c1c92ad7b891eb214
Source of Spectrum B-40-1590-8
Synonyms 3-Hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl 3-chloro-6-hydroxy-4-methoxy-2,5-dimethylbenzoate Methyl 4-(5'-chloro-2'-hydroxy-4'-methoxy-3',6'-dimethylbenzoyloxy)-2-hydroxy-3,5,6-trimethylbenzoate (methyl 4-O-methyleriodermate)
Wiley ID 1378515