For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-(PARA-NITROPHENYL)-3-C-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)-1,2,4-OXADIAZOLE
SpectraBase Compound ID 8rsaU1ZqqwA
InChI InChI=1S/C42H31N3O12/c46-39(27-13-5-1-6-14-27)52-25-32-33(54-40(47)28-15-7-2-8-16-28)34(55-41(48)29-17-9-3-10-18-29)35(56-42(49)30-19-11-4-12-20-30)36(53-32)37-43-38(57-44-37)26-21-23-31(24-22-26)45(50)51/h1-24,32-36H,25H2/t32-,33-,34+,35-,36-/m0/s1
InChIKey BINCHNFJIXJWGQ-AGEXMYHWSA-N
Mol Weight 769.7 g/mol
Molecular Formula C42H31N3O12
Exact Mass 769.190773 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID y4vF5eYUp5
Name 5-(PARA-NITROPHENYL)-3-C-(2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL)-1,2,4-OXADIAZOLE
Compound Number 8E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H31N3O12
InChI InChI=1S/C42H31N3O12/c46-39(27-13-5-1-6-14-27)52-25-32-33(54-40(47)28-15-7-2-8-16-28)34(55-41(48)29-17-9-3-10-18-29)35(56-42(49)30-19-11-4-12-20-30)36(53-32)37-43-38(57-44-37)26-21-23-31(24-22-26)45(50)51/h1-24,32-36H,25H2/t32-,33-,34+,35-,36-/m0/s1
InChIKey BINCHNFJIXJWGQ-AGEXMYHWSA-N
Literature Reference Author M.BENLTIFA,S.VIDAL,B.FENET,M.MSADDEK,P.G.GOEKJIAN,J.P.PRALY, A.BRUNYANSZKI,T.DOCS
Literature Reference Citation EUR.J.ORG.CHEM.,4242(2006)
Molecular Weight 769.721 g/mol
Sample ID 32876
Solvent CDCl3