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Benzoic acid, 2,4-dimethoxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
SpectraBase Compound ID 9BL9rnza8Jl
InChI InChI=1S/C18H18O7/c1-9-6-12(7-13(19)15(9)17(20)21)25-18(22)16-10(2)5-11(23-3)8-14(16)24-4/h5-8,19H,1-4H3,(H,20,21)
InChIKey NRJHKQYRABAFQD-UHFFFAOYSA-N
Mol Weight 346.34 g/mol
Molecular Formula C18H18O7
Exact Mass 346.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ApCF47hVb1
Name Benzoic acid, 2,4-dimethoxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
CAS Registry Number 75422-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O7
InChI InChI=1S/C18H18O7/c1-9-6-12(7-13(19)15(9)17(20)21)25-18(22)16-10(2)5-11(23-3)8-14(16)24-4/h5-8,19H,1-4H3,(H,20,21)
InChIKey NRJHKQYRABAFQD-UHFFFAOYSA-N
Molecular Weight 346.335 g/mol
SMILES Oc1cc(cc(c1C(=O)O)C)OC(c1c(cc(cc1C)OC)OC)=O
SPLASH splash10-05n3-5900000000-88ba0a2c9293b9513e6c
Source of Spectrum W5-30607-0-0
Synonyms 4-[(2,4-dimethoxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methylbenzoic acid 4-[(2,4-dimethoxy-6-methylphenyl)-oxomethoxy]-2-hydroxy-6-methylbenzoic acid 4-(2,4-dimethoxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoic acid 4-(2,4-dimethoxy-6-methyl-phenyl)carbonyloxy-2-methyl-6-oxidanyl-benzoic acid
Wiley ID 1339142