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3-METHYL-1-(4-NITROPHENYL)-5-(1,2,3,4,5-PENTA-O-BENZOYL-D-MANNO-PENTITOL-1-YL)-1-H-1,2,4-TRIAZOLE

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3-METHYL-1-(4-NITROPHENYL)-5-(1,2,3,4,5-PENTA-O-BENZOYL-D-MANNO-PENTITOL-1-YL)-1-H-1,2,4-TRIAZOLE
SpectraBase Compound ID A3heqPEQKDi
InChI InChI=1S/C49H38N4O12/c1-32-50-44(52(51-32)38-27-29-39(30-28-38)53(59)60)43(65-49(58)37-25-15-6-16-26-37)42(64-48(57)36-23-13-5-14-24-36)41(63-47(56)35-21-11-4-12-22-35)40(62-46(55)34-19-9-3-10-20-34)31-61-45(54)33-17-7-2-8-18-33/h2-30,40-43H,31H2,1H3
InChIKey OYFKAJGKXUCNST-UHFFFAOYSA-N
Mol Weight 874.9 g/mol
Molecular Formula C49H38N4O12
Exact Mass 874.248623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOWaykB20Ew
Name 3-METHYL-1-(4-NITROPHENYL)-5-(1,2,3,4,5-PENTA-O-BENZOYL-D-MANNO-PENTITOL-1-YL)-1-H-1,2,4-TRIAZOLE
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H38N4O12
InChI InChI=1S/C49H38N4O12/c1-32-50-44(52(51-32)38-27-29-39(30-28-38)53(59)60)43(65-49(58)37-25-15-6-16-26-37)42(64-48(57)36-23-13-5-14-24-36)41(63-47(56)35-21-11-4-12-22-35)40(62-46(55)34-19-9-3-10-20-34)31-61-45(54)33-17-7-2-8-18-33/h2-30,40-43H,31H2,1H3
InChIKey OYFKAJGKXUCNST-UHFFFAOYSA-N
Literature Reference Author N.A.AL-MASOUDI,Y.A.AL-SOUD,I.M.LAGOJA
Literature Reference Citation CARBOHYDR.RES.,318,67(1999)
Literature Reference DOI 10.1016/S0008-6215(99)00084-1
Molecular Weight 874.860 g/mol
Solvent CDCl3