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4-(Tribenzyloxy-1,4-dihydroxy-D-altro-pentyl-1)-3(5)-carbomethoxy-pyrazole
SpectraBase Compound ID FL9LdjzCjPG
InChI InChI=1S/C31H34N2O7/c1-37-31(36)27-25(17-32-33-27)28(35)30(40-20-24-15-9-4-10-16-24)29(39-19-23-13-7-3-8-14-23)26(34)21-38-18-22-11-5-2-6-12-22/h2-17,26,28-30,34-35H,18-21H2,1H3,(H,32,33)
InChIKey BEIDZEHUOONNDU-UHFFFAOYSA-N
Mol Weight 546.6 g/mol
Molecular Formula C31H34N2O7
Exact Mass 546.236601 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3EF5EsO7PHN
Name 4-(Tribenzyloxy-1,4-dihydroxy-D-altro-pentyl-1)-3(5)-carbomethoxy-pyrazole
CAS Registry Number 59463-93-3
Comments FOR BENZYL CARBONS ONLY AVERAGED VALUES
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H34N2O7
InChI InChI=1S/C31H34N2O7/c1-37-31(36)27-25(17-32-33-27)28(35)30(40-20-24-15-9-4-10-16-24)29(39-19-23-13-7-3-8-14-23)26(34)21-38-18-22-11-5-2-6-12-22/h2-17,26,28-30,34-35H,18-21H2,1H3,(H,32,33)
InChIKey BEIDZEHUOONNDU-UHFFFAOYSA-N
Literature Reference C.M. Gupta, G.H. Jones, J.G.Mofatt, J. Org. Chem. 41, 3000 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3