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3-Chloro-6-(2',4'-dihydroxy-5'-methoxycarbonyl-3',6'-dimethylphenoxy)-2-hydroxy-5-methoxycarbonyl-4-methylbenzoic acid
SpectraBase Compound ID 6FRl38AFIGx
InChI InChI=1S/C20H19ClO10/c1-6-10(20(28)30-5)17(11(18(25)26)15(24)12(6)21)31-16-7(2)9(19(27)29-4)13(22)8(3)14(16)23/h22-24H,1-5H3,(H,25,26)
InChIKey CXGBNZUQEYVLTN-UHFFFAOYSA-N
Mol Weight 454.82 g/mol
Molecular Formula C20H19ClO10
Exact Mass 454.066675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4Tl2MHOfKG
Name 3-Chloro-6-(2',4'-dihydroxy-5'-methoxycarbonyl-3',6'-dimethylphenoxy)-2-hydroxy-5-methoxycarbonyl-4-methylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClO10
InChI InChI=1S/C20H19ClO10/c1-6-10(20(28)30-5)17(11(18(25)26)15(24)12(6)21)31-16-7(2)9(19(27)29-4)13(22)8(3)14(16)23/h22-24H,1-5H3,(H,25,26)
InChIKey CXGBNZUQEYVLTN-UHFFFAOYSA-N
Molecular Weight 454.815 g/mol
SMILES Oc1c(c(c(c(c1C(=O)O)Oc1c(c(C(=O)OC)c(c(c1O)C)O)C)C(=O)OC)C)Cl
SPLASH splash10-001i-9000000000-36c48cab24d05a45ba5b
Source of Spectrum B-48-635-0
Synonyms 3-Chloro-6-[2,4-dihydroxy-5-(methoxycarbonyl)-3,6-dimethylphenoxy]-2-hydroxy-5-(methoxycarbonyl)-4-methylbenzoic acid
Wiley ID 1388627