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METHYL 4-O-BENZOYL-3-O-TRITYL-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-ALPHA-D-GLUCOPYRANURONATE
SpectraBase Compound ID hhSs2Oygcc
InChI InChI=1S/C36H31NO8/c1-35(23-37)43-31-29(28(30(33(39)40-2)42-34(31)45-35)41-32(38)24-15-7-3-8-16-24)44-36(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22,28-31,34H,1-2H3/t28-,29-,30-,31+,34+,35+/m0/s1
InChIKey WBUWANAVNMOTIG-RLVFLQFASA-N
Mol Weight 605.6 g/mol
Molecular Formula C36H31NO8
Exact Mass 605.204967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KrvtSdd6UAG
Name METHYL 4-O-BENZOYL-3-O-TRITYL-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-ALPHA-D-GLUCOPYRANURONATE
Comments 9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H31NO8
InChI InChI=1S/C36H31NO8/c1-35(23-37)43-31-29(28(30(33(39)40-2)42-34(31)45-35)41-32(38)24-15-7-3-8-16-24)44-36(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22,28-31,34H,1-2H3/t28-,29-,30-,31+,34+,35+/m0/s1
InChIKey WBUWANAVNMOTIG-RLVFLQFASA-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