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Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, [4-formyl-3,5-dihydroxy-2-(methoxycarbonyl)phenyl]methyl ester
SpectraBase Compound ID IQXu0SEaEL5
InChI InChI=1S/C19H16O10/c1-8-3-12(22)10(5-20)16(24)14(8)19(27)29-7-9-4-13(23)11(6-21)17(25)15(9)18(26)28-2/h3-6,22-25H,7H2,1-2H3
InChIKey RGIUZEQCHUVBFB-UHFFFAOYSA-N
Mol Weight 404.33 g/mol
Molecular Formula C19H16O10
Exact Mass 404.074347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWTpD9Yihio
Name Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, [4-formyl-3,5-dihydroxy-2-(methoxycarbonyl)phenyl]methyl ester
CAS Registry Number 6161-74-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16O10
InChI InChI=1S/C19H16O10/c1-8-3-12(22)10(5-20)16(24)14(8)19(27)29-7-9-4-13(23)11(6-21)17(25)15(9)18(26)28-2/h3-6,22-25H,7H2,1-2H3
InChIKey RGIUZEQCHUVBFB-UHFFFAOYSA-N
Molecular Weight 404.327 g/mol
SMILES Oc1c(c(c(C(OCc2c(c(c(c(c2)O)C=O)O)C(=O)OC)=O)c(c1)C)O)C=O
SPLASH splash10-0a4i-0970000000-ea196a7dffe91caa85f7
Source of Spectrum B-40-1849-4
Synonyms Isophthalaldehydic acid, 2,4-dihydroxy-6-(hydroxymethyl)-, methyl ester, 6-ester with 2,4-dihydroxy-6-methylisophthalaldehydic acid 4-formyl-3,5-dihydroxy-2-(methoxycarbonyl)benzyl 3-formyl-2,4-dihydroxy-6-methylbenzoate Barbatolic acid methyl ester Methyl 6-[2,4-dihydroxy-3-formyl-6-methylbenzoyloxymethyl]-3-formyl-2,4-dihydroxybenzoate (methyl barbatolate) Methyl barbatolate
Wiley ID 1371121