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O-(2-Acetylamino-2-deoxy-3,4,6-tri-O-acetyl-a-d-glucopyranosyl)-trichloroacetimidate

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O-(2-Acetylamino-2-deoxy-3,4,6-tri-O-acetyl-a-d-glucopyranosyl)-trichloroacetimidate
SpectraBase Compound ID 6EvawbaJEey
InChI InChI=1S/C16H21Cl3N2O9/c1-6(22)21-11-13(28-9(4)25)12(27-8(3)24)10(5-26-7(2)23)29-14(11)30-15(20)16(17,18)19/h10-14,20H,5H2,1-4H3,(H,21,22)/t10-,11-,12+,13+,14+/m0/s1
InChIKey GVPBSWRXDCSWNJ-ODXJTPSBSA-N
Mol Weight 491.71 g/mol
Molecular Formula C16H21Cl3N2O9
Exact Mass 490.031263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9NQVYP9NZkl
Name o-(2-Acetylamino-2-deoxy-3,4,6-tri-o-acetyl-A-D-glucopyranosyl)-trichloroacetimidate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.031263355 u
Formula C16H21Cl3N2O9
InChI InChI=1S/C16H21Cl3N2O9/c1-6(22)21-11-13(28-9(4)25)12(27-8(3)24)10(5-26-7(2)23)29-14(11)30-15(20)16(17,18)19/h10-14,20H,5H2,1-4H3,(H,21,22)/t10-,11-,12+,13+,14+/m0/s1
InChIKey GVPBSWRXDCSWNJ-ODXJTPSBSA-N
Molecular Weight 491.708 g/mol
SMILES N([C@]1([C@]([C@@]([C@@](O[C@@]1(OC(=N)C(Cl)(Cl)Cl)[H])(COC(=O)C)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])C(C)=O