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Benzoic acid, 3-formyl-5-[(3-formyl-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-2,4-di hydroxy-6-methyl-
SpectraBase Compound ID 61ReZ6pkcRG
InChI InChI=1S/C19H16O10/c1-7-4-11(28-3)9(5-20)14(22)12(7)19(27)29-17-8(2)13(18(25)26)15(23)10(6-21)16(17)24/h4-6,22-24H,1-3H3,(H,25,26)
InChIKey KTZXEYGDCLLQMH-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 BkUjHQCMu2b
Name Benzoic acid, 3-formyl-5-[(3-formyl-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-2,4-di hydroxy-6-methyl-
Alternate Name(s) 3-formyl-5-[(3-formyl-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-2,4-dihydroxy-6-methylbenzoic acid Haemathamnolic acid Hemathamnolic acid Isophthalaldehydic acid, 2-hydroxy-4-methoxy-6-methyl-, 5-ester with 2,4,5-trihydroxy-6-methylisophthalaldehydic acid
CAS Registry Number 16012-59-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16O10
InChI InChI=1S/C19H16O10/c1-7-4-11(28-3)9(5-20)14(22)12(7)19(27)29-17-8(2)13(18(25)26)15(23)10(6-21)16(17)24/h4-6,22-24H,1-3H3,(H,25,26)
InChIKey KTZXEYGDCLLQMH-UHFFFAOYSA-N
Molecular Weight 404.327 g/mol
SMILES Oc1c(C(Oc2c(c(c(c(C(=O)O)c2C)O)C=O)O)=O)c(cc(c1C=O)OC)C
SPLASH splash10-0006-4900000000-66ea2f86dee8a727ca32
Source of Spectrum B-28-2041-0
Wiley ID 1371120