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Benzoic acid, 2,4-dihydroxy-5-[3-methoxy-6-(methoxycarbonyl)-2,5-dimethylphenoxy]-3,6-dimethyl-, methyl ester
SpectraBase Compound ID BxZAqlueMBB
InChI InChI=1S/C21H24O8/c1-9-8-13(26-5)10(2)18(14(9)20(24)27-6)29-19-11(3)15(21(25)28-7)16(22)12(4)17(19)23/h8,22-23H,1-7H3
InChIKey ZOJVUYCPXGWGML-UHFFFAOYSA-N
Mol Weight 404.42 g/mol
Molecular Formula C21H24O8
Exact Mass 404.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XqaXAsErYT
Name Benzoic acid, 2,4-dihydroxy-5-[3-methoxy-6-(methoxycarbonyl)-2,5-dimethylphenoxy]-3,6-dimethyl-, methyl ester
CAS Registry Number 38629-33-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O8
InChI InChI=1S/C21H24O8/c1-9-8-13(26-5)10(2)18(14(9)20(24)27-6)29-19-11(3)15(21(25)28-7)16(22)12(4)17(19)23/h8,22-23H,1-7H3
InChIKey ZOJVUYCPXGWGML-UHFFFAOYSA-N
Molecular Weight 404.415 g/mol
SMILES Oc1c(c(c(c(c1Oc1c(C)c(cc(C)c1C(=O)OC)OC)C)C(=O)OC)O)C
SPLASH splash10-0ir0-4569200000-b50eae62c19d982a57a3
Source of Spectrum B-25-2179-12
Synonyms 2,4-Dihydroxy-5-(5-methoxy-2-methoxycarbonyl-3,6-dimethylphenoxy)-3,6-dimethylbenzoic acid methyl ester 5-(2-carbomethoxy-5-methoxy-3,6-dimethyl-phenoxy)-2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester Methyl 2,4-dihydroxy-5-(5-methoxy-2-methoxycarbonyl-3,6-dimethyl-phenoxy)-3,6-dimethyl-benzoate Methyl 3-(5-methoxy-2-methoxycarbonyl-3,6-dimethyl-phenoxy)-2,5-dimethyl-4,6-bis(oxidanyl)benzoate
Wiley ID 57482