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1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methoxy-6-methyl-, 1-[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl]ester
SpectraBase Compound ID MQ8bMrxTbF
InChI InChI=1S/C20H20O9/c1-8-6-11(10(3)16(21)13(8)19(25)28-5)29-20(26)14-9(2)7-12(27-4)15(17(14)22)18(23)24/h6-7,21-22H,1-5H3,(H,23,24)
InChIKey KUGJNJIBROAICE-UHFFFAOYSA-N
Mol Weight 404.37 g/mol
Molecular Formula C20H20O9
Exact Mass 404.110732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMy9N1dJag
Name 1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methoxy-6-methyl-, 1-[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl]ester
CAS Registry Number 107783-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O9
InChI InChI=1S/C20H20O9/c1-8-6-11(10(3)16(21)13(8)19(25)28-5)29-20(26)14-9(2)7-12(27-4)15(17(14)22)18(23)24/h6-7,21-22H,1-5H3,(H,23,24)
InChIKey KUGJNJIBROAICE-UHFFFAOYSA-N
Molecular Weight 404.371 g/mol
SMILES Oc1c(c(OC(c2c(cc(c(c2O)C(=O)O)OC)C)=O)cc(c1C(=O)OC)C)C
SPLASH splash10-01pc-0900000000-539220cfe4eb1c497caa
Source of Spectrum B-42-1197-3
Synonyms 2-Hydroxy-3-{[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenoxy]carbonyl}-6-methoxy-4-methylbenzoic acid 2-Hydroxy-6-methoxy-3-(4-methoxycarbonyl-3-hydroxy-2,5-dimethylphenoxycarbonyl)-4-methylbenzoic acid Elatinic acid
Wiley ID 1371153