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1,3,4,6,7-PENTA-O-ACETYL-2-DEOXY-2-ISOCYANATO-ALPHA-D-GLYCERO-L-GLUCOHEPTOPYRANOSIDE
SpectraBase Compound ID Ea50gn0UnJM
InChI InChI=1S/C18H23NO12/c1-8(21)26-6-13(27-9(2)22)15-17(29-11(4)24)16(28-10(3)23)14(19-7-20)18(31-15)30-12(5)25/h13-18H,6H2,1-5H3/t13-,14-,15+,16-,17-,18-/m1/s1
InChIKey KPDVRNCMKVNUBK-OOOWVJFSSA-N
Mol Weight 445.38 g/mol
Molecular Formula C18H23NO12
Exact Mass 445.122025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6f0LGgjH8Z9
Name 1,3,4,6,7-PENTA-O-ACETYL-2-DEOXY-2-ISOCYANATO-ALPHA-D-GLYCERO-L-GLUCOHEPTOPYRANOSIDE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H23NO12
InChI InChI=1S/C18H23NO12/c1-8(21)26-6-13(27-9(2)22)15-17(29-11(4)24)16(28-10(3)23)14(19-7-20)18(31-15)30-12(5)25/h13-18H,6H2,1-5H3/t13-,14-,15+,16-,17-,18-/m1/s1
InChIKey KPDVRNCMKVNUBK-OOOWVJFSSA-N
Literature Reference Author M.AVALOS,R.BABIANO,P.CINTAS,M.B.HURSTHOUSE,J.L.JIMENEZ,M.E.L IGHT,J.C.PALACIOS,E.
Literature Reference Citation EUR.J.ORG.CHEM.,657(2006)
Molecular Weight 445.380 g/mol
Sample ID 42966
Solvent CDCl3