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3-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-propylbenzoic acid
SpectraBase Compound ID G9LrxuBltmU
InChI InChI=1S/C21H24O8/c1-4-6-11-8-13(22)10-14(23)16(11)21(27)29-19-15(28-3)9-12(7-5-2)17(18(19)24)20(25)26/h8-10,22-24H,4-7H2,1-3H3,(H,25,26)
InChIKey DMDOBFFDDKYHES-UHFFFAOYSA-N
Mol Weight 404.42 g/mol
Molecular Formula C21H24O8
Exact Mass 404.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5CzByQsdpI
Name 3-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-4-methoxy-6-propylbenzoic acid
CAS Registry Number 73694-32-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O8
InChI InChI=1S/C21H24O8/c1-4-6-11-8-13(22)10-14(23)16(11)21(27)29-19-15(28-3)9-12(7-5-2)17(18(19)24)20(25)26/h8-10,22-24H,4-7H2,1-3H3,(H,25,26)
InChIKey DMDOBFFDDKYHES-UHFFFAOYSA-N
Molecular Weight 404.415 g/mol
SMILES Oc1cc(c(C(Oc2c(c(c(cc2OC)CCC)C(=O)O)O)=O)c(c1)CCC)O
SPLASH splash10-0006-2900000000-8718a34c8706a3e0ab19
Source of Spectrum W5-33790-31746-31746
Synonyms 3-[(2,4-dihydroxy-6-propylphenyl)-oxomethoxy]-2-hydroxy-4-methoxy-6-propylbenzoic acid 3-(2,4-dihydroxy-6-propylbenzoyl)oxy-2-hydroxy-4-methoxy-6-propylbenzoic acid 3-[2,4-bis(oxidanyl)-6-propyl-phenyl]carbonyloxy-4-methoxy-2-oxidanyl-6-propyl-benzoic acid
Wiley ID 1371195