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3,4,6-TRI-O-ACETYL-1,2-O-[ALPHA-(EXO-CYANO)-PARA-BROMOBENZYLIDENE]-ALPHA-D-GALACTOPYRANOSE
SpectraBase Compound ID AM3u2f9mqUN
InChI InChI=1S/C20H20BrNO9/c1-10(23)26-8-15-16(27-11(2)24)17(28-12(3)25)18-19(29-15)31-20(9-22,30-18)13-4-6-14(21)7-5-13/h4-7,15-19H,8H2,1-3H3/t15-,16+,17+,18-,19-,20+/m1/s1
InChIKey XKKQPCNRXQWZCM-YRIPFXIYSA-N
Mol Weight 498.28 g/mol
Molecular Formula C20H20BrNO9
Exact Mass 497.032144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID eiyPol7MBQ
Name 3,4,6-TRI-O-ACETYL-1,2-O-[ALPHA-(EXO-CYANO)-PARA-BROMOBENZYLIDENE]-ALPHA-D-GALACTOPYRANOSE
Comments OR
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H20BrNO9
InChI InChI=1S/C20H20BrNO9/c1-10(23)26-8-15-16(27-11(2)24)17(28-12(3)25)18-19(29-15)31-20(9-22,30-18)13-4-6-14(21)7-5-13/h4-7,15-19H,8H2,1-3H3/t15-,16+,17+,18-,19-,20+/m1/s1
InChIKey XKKQPCNRXQWZCM-YRIPFXIYSA-N
Instrument Name Bruker WM-250
Literature Reference V.I.BETANELI, I.A.KRYAZHEVSKIKH, A.YA.OTT, N.K.KOCHETKOV (1988)Bioorganich.Khim.(Russ. Lang.): v.14, N5, 664-669.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3