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1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methoxy-6-methyl-, 1-(3-carboxy-4,6-dihydroxy-2,5-dimethylphenyl) ester
SpectraBase Compound ID 2o6YC6IaGqN
InChI InChI=1S/C19H18O10/c1-6-5-9(28-4)12(18(25)26)15(22)10(6)19(27)29-16-7(2)11(17(23)24)13(20)8(3)14(16)21/h5,20-22H,1-4H3,(H,23,24)(H,25,26)
InChIKey JAMFWYQGSFUDBI-UHFFFAOYSA-N
Mol Weight 406.34 g/mol
Molecular Formula C19H18O10
Exact Mass 406.089997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OUJT8heMkZ
Name 1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methoxy-6-methyl-, 1-(3-carboxy-4,6-dihydroxy-2,5-dimethylphenyl) ester
CAS Registry Number 573-36-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O10
InChI InChI=1S/C19H18O10/c1-6-5-9(28-4)12(18(25)26)15(22)10(6)19(27)29-16-7(2)11(17(23)24)13(20)8(3)14(16)21/h5,20-22H,1-4H3,(H,23,24)(H,25,26)
InChIKey JAMFWYQGSFUDBI-UHFFFAOYSA-N
Molecular Weight 406.343 g/mol
SMILES OC(c1c(c(C(Oc2c(c(c(c(C(=O)O)c2C)O)C)O)=O)c(cc1OC)C)O)=O
SPLASH splash10-0fr6-5900000000-2af4977a9ad4e5512948
Source of Spectrum B-28-2041-0
Synonyms 3-[(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-4,6-dihydroxy-2,5-dimethylbenzoic acid Hypothamnolic acid Isophthalic acid, 2-hydroxy-4-methoxy-6-methyl-, 1-(3-carboxy-4,6-dihydroxy-2,5-xylyl) ester
Wiley ID 1372011