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Benzoic acid, 2-hydroxy-4-[(4-hydroxy-2-methoxy-3,6-dimethylbenzoyl)oxy]-3,6-dimethyl-
SpectraBase Compound ID 7UCjecj7aT0
InChI InChI=1S/C19H20O7/c1-8-6-12(20)10(3)17(25-5)15(8)19(24)26-13-7-9(2)14(18(22)23)16(21)11(13)4/h6-7,20-21H,1-5H3,(H,22,23)
InChIKey LDUIGKBGAKEQFZ-UHFFFAOYSA-N
Mol Weight 360.36 g/mol
Molecular Formula C19H20O7
Exact Mass 360.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqyUog0vP4T
Name Benzoic acid, 2-hydroxy-4-[(4-hydroxy-2-methoxy-3,6-dimethylbenzoyl)oxy]-3,6-dimethyl-
CAS Registry Number 125304-86-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O7
InChI InChI=1S/C19H20O7/c1-8-6-12(20)10(3)17(25-5)15(8)19(24)26-13-7-9(2)14(18(22)23)16(21)11(13)4/h6-7,20-21H,1-5H3,(H,22,23)
InChIKey LDUIGKBGAKEQFZ-UHFFFAOYSA-N
Molecular Weight 360.362 g/mol
SMILES Oc1c(c(cc(c1C(=O)O)C)OC(c1c(c(C)c(cc1C)O)OC)=O)C
SPLASH splash10-004i-0900000000-4c381fe37d27d90215db
Source of Spectrum B-42-1199-5
Synonyms 2-Hydroxy-4-[(4-hydroxy-2-methoxy-3,6-dimethylbenzoyl)oxy]-3,6-dimethylbenzoic acid 4-O-demethyldiffractaic acid 4-O-demethyldiffractic acid
Wiley ID 1348259