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METHYL 4-O-ACETYL-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-ALPHA-D-GLUCOPYRANURONATE
SpectraBase Compound ID EpbnRfoPFRx
InChI InChI=1S/C12H15NO8/c1-5(14)18-7-6(15)8-11(19-9(7)10(16)17-3)21-12(2,4-13)20-8/h6-9,11,15H,1-3H3/t6-,7-,8+,9-,11+,12+/m0/s1
InChIKey KVMLCDKTZHNPAC-NCJSXPSXSA-N
Mol Weight 301.25 g/mol
Molecular Formula C12H15NO8
Exact Mass 301.079766 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1xZPKXUl47e
Name METHYL 4-O-ACETYL-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-ALPHA-D-GLUCOPYRANURONATE
Comments ##
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Formula C12H15NO8
InChI InChI=1S/C12H15NO8/c1-5(14)18-7-6(15)8-11(19-9(7)10(16)17-3)21-12(2,4-13)20-8/h6-9,11,15H,1-3H3/t6-,7-,8+,9-,11+,12+/m0/s1
InChIKey KVMLCDKTZHNPAC-NCJSXPSXSA-N
Instrument Name Bruker WP-60
Literature Reference V.I.BETANELI, M.M.LITVAK, M.I.STRUCHKOVA, L.V.BAKINOVSKY, N.K.KOCHETKOV (1983)Bioorganich.Khim.(Russ. Lang.): v.9, N1, 87-103.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3