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1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methoxy-6-methyl-, 1-(3-formyl-2,4-dihydroxy-6-methylphenyl) ester
SpectraBase Compound ID 8BkXPafvPHt
InChI InChI=1S/C18H16O9/c1-7-5-11(14(21)10(6-19)13(7)20)27-18(25)9-4-8(2)16(26-3)12(15(9)22)17(23)24/h4-6,20-22H,1-3H3,(H,23,24)
InChIKey KCTAHHKNWIJNOW-UHFFFAOYSA-N
Mol Weight 376.32 g/mol
Molecular Formula C18H16O9
Exact Mass 376.079432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tHvfS5kVaL
Name 1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methoxy-6-methyl-, 1-(3-formyl-2,4-dihydroxy-6-methylphenyl) ester
CAS Registry Number 4356-38-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O9
InChI InChI=1S/C18H16O9/c1-7-5-11(14(21)10(6-19)13(7)20)27-18(25)9-4-8(2)16(26-3)12(15(9)22)17(23)24/h4-6,20-22H,1-3H3,(H,23,24)
InChIKey KCTAHHKNWIJNOW-UHFFFAOYSA-N
Molecular Weight 376.317 g/mol
SMILES OC(c1c(c(C(Oc2cc(c(c(c2O)C=O)O)C)=O)cc(c1OC)C)O)=O
SPLASH splash10-0006-8960000000-ee075b54a8a01dcc5694
Source of Spectrum H-71-880-25
Synonyms Isophthalic acid, 2-hydroxy-4-methoxy-6-methyl-, 1-(5-formyl-4,6-dihydroxy-o-tolyl) ester (3-formyl-2,4-dihydroxy-5-methyl)phenyl[3-(hydroxycarbonyl)-2-hydroxy-4-methoxy-5-methyl]benzoate 3-[(3-formyl-2,4-dihydroxy-5-methylphenoxy)carbonyl]-2-hydroxy-6-methoxy-5-methylbenzoic acid Decarboxythamnolic acid p-Tolualdehyde, 2,3,6-trihydroxy-, 3- Vermicularin
Wiley ID 1357531