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3,4-DI-O-BENZOYL-1,2-O-[(1-ENDO-CYANO)BENZYLIDENE]-ALPHA-D-XYLOPYRANOSE
SpectraBase Compound ID HtVrTpTnkXI
InChI InChI=1S/C27H21NO7/c28-17-27(20-14-8-3-9-15-20)34-23-22(33-25(30)19-12-6-2-7-13-19)21(16-31-26(23)35-27)32-24(29)18-10-4-1-5-11-18/h1-15,21-23,26H,16H2/t21-,22+,23-,26-,27-/m1/s1
InChIKey GYAOSPFQLCLZFL-XXETWWQQSA-N
Mol Weight 471.47 g/mol
Molecular Formula C27H21NO7
Exact Mass 471.131802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LqhfGQVVeyU
Name 3,4-DI-O-BENZOYL-1,2-O-[(1-ENDO-CYANO)BENZYLIDENE]-ALPHA-D-XYLOPYRANOSE
Comments (
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Formula C27H21NO7
InChI InChI=1S/C27H21NO7/c28-17-27(20-14-8-3-9-15-20)34-23-22(33-25(30)19-12-6-2-7-13-19)21(16-31-26(23)35-27)32-24(29)18-10-4-1-5-11-18/h1-15,21-23,26H,16H2/t21-,22+,23-,26-,27-/m1/s1
InChIKey GYAOSPFQLCLZFL-XXETWWQQSA-N
Instrument Name Bruker WP-60
Literature Reference L.V.BAKINOVSKY, N.E.NIFANT'EV, V.I.BETANELI, M.I.STRUCHKOVA, N.K.KOCHETKOV(1983) Bioorganich.Khim.(Russ. Lang.): v.9, N1, 74-86.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3