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Benzeneacetic acid, 4-(.beta.-D-glucopyranosyloxy)-, 5me derivative

View entire compound with spectra: 1 NMR

Benzeneacetic acid, 4-(.beta.-D-glucopyranosyloxy)-, 5me derivative
SpectraBase Compound ID G8hv0uTDP4O
InChI InChI=1S/C19H28O8/c1-21-11-14-16(23-3)17(24-4)18(25-5)19(27-14)26-13-8-6-12(7-9-13)10-15(20)22-2/h6-9,14,16-19H,10-11H2,1-5H3/t14-,16-,17+,18-,19-/m1/s1
InChIKey SQZLQYFBSNRZNU-IQZDNPOKSA-N
Mol Weight 384.43 g/mol
Molecular Formula C19H28O8
Exact Mass 384.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7egH2k8vq3K
Name Benzeneacetic acid, 4-(.beta.-D-glucopyranosyloxy)-, 5me derivative
Comments Computed using HOSE algorithm
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Exact Mass 384.178417854 u
Formula C19H28O8
InChI InChI=1S/C19H28O8/c1-21-11-14-16(23-3)17(24-4)18(25-5)19(27-14)26-13-8-6-12(7-9-13)10-15(20)22-2/h6-9,14,16-19H,10-11H2,1-5H3/t14-,16-,17+,18-,19-/m1/s1
InChIKey SQZLQYFBSNRZNU-IQZDNPOKSA-N
Molecular Weight 384.425 g/mol
SMILES C1=C(C=CC(=C1)CC(OC)=O)O[C@@]1(O[C@@]([C@]([C@@]([C@]1(OC)[H])(OC)[H])(OC)[H])(COC)[H])[H]