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Glucosamine, N-acetyl-1-o-benzoyl-3,4,6-tri-o-methyl-
SpectraBase Compound ID GJJnhNqVXVR
InChI InChI=1S/C18H25NO7/c1-11(20)19-14-16(24-4)15(23-3)13(10-22-2)25-18(14)26-17(21)12-8-6-5-7-9-12/h5-9,13-16,18H,10H2,1-4H3,(H,19,20)/t13-,14-,15-,16-,18+/m1/s1
InChIKey IDCGYNFFHLZQGX-HBPKQKSZSA-N
Mol Weight 367.4 g/mol
Molecular Formula C18H25NO7
Exact Mass 367.163102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BvxbSmmgdzJ
Name Glucosamine, N-acetyl-1-o-benzoyl-3,4,6-tri-o-methyl-
Comments Computed using HOSE algorithm
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Exact Mass 367.163102142 u
Formula C18H25NO7
InChI InChI=1S/C18H25NO7/c1-11(20)19-14-16(24-4)15(23-3)13(10-22-2)25-18(14)26-17(21)12-8-6-5-7-9-12/h5-9,13-16,18H,10H2,1-4H3,(H,19,20)/t13-,14-,15-,16-,18+/m1/s1
InChIKey IDCGYNFFHLZQGX-HBPKQKSZSA-N
Molecular Weight 367.398 g/mol
SMILES [C@@]1([C@](O[C@]([C@@]([C@]1(OC)[H])(NC(C)=O)[H])(OC(=O)C1=CC=CC=C1)[H])(COC)[H])(OC)[H]