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4-(3-carboxy-2-hydroxy-4-methoxy-6-methyl-benzoyl)oxy-2-hydroxy-3,6-dimethyl-benzoic acid
SpectraBase Compound ID JHDspavehjg
InChI InChI=1S/C19H18O9/c1-7-5-10(9(3)15(20)12(7)17(22)23)28-19(26)13-8(2)6-11(27-4)14(16(13)21)18(24)25/h5-6,20-21H,1-4H3,(H,22,23)(H,24,25)
InChIKey WCWYEXBIRSSVGF-UHFFFAOYSA-N
Mol Weight 390.34 g/mol
Molecular Formula C19H18O9
Exact Mass 390.095082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mQZj7O4dJf
Name 4-(3-carboxy-2-hydroxy-4-methoxy-6-methyl-benzoyl)oxy-2-hydroxy-3,6-dimethyl-benzoic acid
Alternate Name(s) 4-(3-carboxy-4-methoxy-6-methyl-2-oxidanyl-phenyl)carbonyloxy-3,6-dimethyl-2-oxidanyl-benzoic acid 4-[(3-carboxy-2-hydroxy-4-methoxy-6-methylphenyl)-oxomethoxy]-2-hydroxy-3,6-dimethylbenzoic acid Squamatic acid
CAS Registry Number 569-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O9
InChI InChI=1S/C19H18O9/c1-7-5-10(9(3)15(20)12(7)17(22)23)28-19(26)13-8(2)6-11(27-4)14(16(13)21)18(24)25/h5-6,20-21H,1-4H3,(H,22,23)(H,24,25)
InChIKey WCWYEXBIRSSVGF-UHFFFAOYSA-N
Molecular Weight 390.344 g/mol
SMILES Oc1c(c(OC(c2c(cc(c(c2O)C(=O)O)OC)C)=O)cc(c1C(=O)O)C)C
SPLASH splash10-01p6-8900000000-e0ce03698062a18dc381
Source of Spectrum B-28-1124-0
Wiley ID 1364656