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PARA-NITROPHENYL 2-ACETAMIDO-4,6-DI-O-BENZOYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE-3-HYDROGENPHOSPHONATE, TRIETHYLAMMONIUM SALT
SpectraBase Compound ID FCYdxZKe0Se
InChI InChI=1S/C28H27N2O12P.C6H15N/c1-17(31)29-23-25(42-43(36)37)24(41-27(33)19-10-6-3-7-11-19)22(16-38-26(32)18-8-4-2-5-9-18)40-28(23)39-21-14-12-20(13-15-21)30(34)35;1-4-7(5-2)6-3/h2-15,22-25,28,43H,16H2,1H3,(H,29,31)(H,36,37);4-6H2,1-3H3/t22-,23-,24-,25-,28-;/m1./s1
InChIKey XWUPMFOQUVCXSI-MNHWOWOPSA-N
Mol Weight 715.69 g/mol
Molecular Formula C34H42N3O12P
Exact Mass 715.250611 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQP7rbsGrfO
Name PARA-NITROPHENYL 2-ACETAMIDO-4,6-DI-O-BENZOYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE-3-HYDROGENPHOSPHONATE, TRIETHYLAMMONIUM SALT
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Formula C34H42N3O12P
InChI InChI=1S/C28H27N2O12P.C6H15N/c1-17(31)29-23-25(42-43(36)37)24(41-27(33)19-10-6-3-7-11-19)22(16-38-26(32)18-8-4-2-5-9-18)40-28(23)39-21-14-12-20(13-15-21)30(34)35;1-4-7(5-2)6-3/h2-15,22-25,28,43H,16H2,1H3,(H,29,31)(H,36,37);4-6H2,1-3H3/t22-,23-,24-,25-,28-;/m1./s1
InChIKey XWUPMFOQUVCXSI-MNHWOWOPSA-N
Instrument Name Bruker AC-200
Literature Reference A.V.NIKOLAEV, I.A.IVANOVA, V.N.SHIBAEV (1992) Bioorganich.Khim.(Russ. Lang.):v.18, N1, 126-141.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d