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4-(Hexopyranosyloxy)-3-methoxybenzoic acid, 5me derivative

View entire compound with spectra: 1 NMR

4-(Hexopyranosyloxy)-3-methoxybenzoic acid, 5me derivative
SpectraBase Compound ID 5aMMJMyplwE
InChI InChI=1S/C19H28O9/c1-21-10-14-15(23-3)16(24-4)17(25-5)19(28-14)27-12-8-7-11(18(20)26-6)9-13(12)22-2/h7-9,14-17,19H,10H2,1-6H3
InChIKey BIRNOUQVONTQIO-UHFFFAOYSA-N
Mol Weight 400.42 g/mol
Molecular Formula C19H28O9
Exact Mass 400.173332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7orxzEPQtaS
Name 4-(Hexopyranosyloxy)-3-methoxybenzoic acid, 5me derivative
Comments Computed using HOSE algorithm
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Exact Mass 400.173332473 u
Formula C19H28O9
InChI InChI=1S/C19H28O9/c1-21-10-14-15(23-3)16(24-4)17(25-5)19(28-14)27-12-8-7-11(18(20)26-6)9-13(12)22-2/h7-9,14-17,19H,10H2,1-6H3
InChIKey BIRNOUQVONTQIO-UHFFFAOYSA-N
Molecular Weight 400.424 g/mol
SMILES C(C1=CC(=C(C=C1)OC1C(OC)C(OC)C(OC)C(O1)COC)OC)(=O)OC