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Benzoic acid, 2-hydroxy-4-[[3-(hydroxymethyl)-2,4-dimethoxy-6-methylbenzoyl]oxy]-3,6-dimethyl-
SpectraBase Compound ID 5iYm4CSJz3N
InChI InChI=1S/C20H22O8/c1-9-6-13(11(3)17(22)15(9)19(23)24)28-20(25)16-10(2)7-14(26-4)12(8-21)18(16)27-5/h6-7,21-22H,8H2,1-5H3,(H,23,24)
InChIKey JCGQYFWURNBHOJ-UHFFFAOYSA-N
Mol Weight 390.39 g/mol
Molecular Formula C20H22O8
Exact Mass 390.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uLfH2QHIJb
Name Benzoic acid, 2-hydroxy-4-[[3-(hydroxymethyl)-2,4-dimethoxy-6-methylbenzoyl]oxy]-3,6-dimethyl-
Comments Computed using HOSE algorithm
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Exact Mass 390.131467660 u
Formula C20H22O8
InChI InChI=1S/C20H22O8/c1-9-6-13(11(3)17(22)15(9)19(23)24)28-20(25)16-10(2)7-14(26-4)12(8-21)18(16)27-5/h6-7,21-22H,8H2,1-5H3,(H,23,24)
InChIKey JCGQYFWURNBHOJ-UHFFFAOYSA-N
Molecular Weight 390.388 g/mol
SMILES C=1(C(OC=2C(=C(O)C(=C(C2)C)C(=O)O)C)=O)C(=C(CO)C(=CC1C)OC)OC