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3,4,6-TRI-O-ACETYL-1,2-O-[ALPHA-(EXO-CYANO)-(4-CYANOBENZYLIDENE)]-ALPHA-D-GALACTOPYRANOSE
SpectraBase Compound ID JPqkWgistWv
InChI InChI=1S/C21H20N2O9/c1-11(24)27-9-16-17(28-12(2)25)18(29-13(3)26)19-20(30-16)32-21(10-23,31-19)15-6-4-14(8-22)5-7-15/h4-7,16-20H,9H2,1-3H3/t16-,17+,18+,19-,20-,21+/m1/s1
InChIKey JREJOKZNTLZEPM-ZWMUSQMVSA-N
Mol Weight 444.4 g/mol
Molecular Formula C21H20N2O9
Exact Mass 444.11688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43sviSxr6sP
Name 3,4,6-TRI-O-ACETYL-1,2-O-[ALPHA-(EXO-CYANO)-(4-CYANOBENZYLIDENE)]-ALPHA-D-GALACTOPYRANOSE
Comments W=
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H20N2O9
InChI InChI=1S/C21H20N2O9/c1-11(24)27-9-16-17(28-12(2)25)18(29-13(3)26)19-20(30-16)32-21(10-23,31-19)15-6-4-14(8-22)5-7-15/h4-7,16-20H,9H2,1-3H3/t16-,17+,18+,19-,20-,21+/m1/s1
InChIKey JREJOKZNTLZEPM-ZWMUSQMVSA-N
Instrument Name Bruker WM-250
Literature Reference V.I.BETANELI, I.A.KRYAZHEVSKIKH, N.K.KOCHETKOV (1992) Bioorganich.Khim.(Russ.Lang.): v.18, N7, 951-957.
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d