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Tetra-o-acetyl-N-benzoylglucosamine

View entire compound with spectra: 1 NMR, and 1 FTIR

Tetra-o-acetyl-N-benzoylglucosamine
SpectraBase Compound ID 5ytVOmKP3ep
InChI InChI=1S/C21H25NO10/c1-12(24)29-11-18(30-13(2)25)20(32-15(4)27)19(31-14(3)26)17(10-23)22-21(28)16-8-6-5-7-9-16/h5-10,17-20H,11H2,1-4H3,(H,22,28)
InChIKey ZBEPQEAIMASLGW-UHFFFAOYSA-N
Mol Weight 451.43 g/mol
Molecular Formula C21H25NO10
Exact Mass 451.147846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FHhwuzJ1drc
Name Tetra-o-acetyl-N-benzoylglucosamine
Comments Computed using HOSE algorithm
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Exact Mass 451.147845999 u
Formula C21H25NO10
InChI InChI=1S/C21H25NO10/c1-12(24)29-11-18(30-13(2)25)20(32-15(4)27)19(31-14(3)26)17(10-23)22-21(28)16-8-6-5-7-9-16/h5-10,17-20H,11H2,1-4H3,(H,22,28)
InChIKey ZBEPQEAIMASLGW-UHFFFAOYSA-N
Molecular Weight 451.428 g/mol
SMILES C1=CC=C(C=C1)C(NC(C(OC(=O)C)C(OC(C)=O)C(OC(C)=O)COC(C)=O)C=O)=O