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Methyl 3-anisoyl-.beta.-D-galactopyranoside
SpectraBase Compound ID 3cO3GGKBQns
InChI InChI=1S/C15H20O8/c1-20-9-5-3-8(4-6-9)14(19)23-13-11(17)10(7-16)22-15(21-2)12(13)18/h3-6,10-13,15-18H,7H2,1-2H3/t10-,11+,12-,13+,15-/m1/s1
InChIKey RESOTXPSUPWCKM-GEJOOGBSSA-N
Mol Weight 328.32 g/mol
Molecular Formula C15H20O8
Exact Mass 328.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3d2BfmCc3fS
Name Methyl 3-anisoyl-.beta.-D-galactopyranoside
Comments Computed using HOSE algorithm
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Exact Mass 328.115817596 u
Formula C15H20O8
InChI InChI=1S/C15H20O8/c1-20-9-5-3-8(4-6-9)14(19)23-13-11(17)10(7-16)22-15(21-2)12(13)18/h3-6,10-13,15-18H,7H2,1-2H3/t10-,11+,12-,13+,15-/m1/s1
InChIKey RESOTXPSUPWCKM-GEJOOGBSSA-N
Molecular Weight 328.317 g/mol
SMILES [C@]1([C@](O[C@]([C@@]([C@]1(OC(=O)C1=CC=C(C=C1)OC)[H])(O)[H])(OC)[H])(CO)[H])(O)[H]