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BENGAMIDE-R

View entire compound with spectra: 1 NMR

BENGAMIDE-R
SpectraBase Compound ID XnhV2DBWlb
InChI InChI=1S/C33H60N2O7/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28(36)42-27(23-22-25(2)3)29(37)30(38)31(41-4)33(40)35-26-20-18-19-24-34-32(26)39/h22-23,25-27,29-31,37-38H,5-21,24H2,1-4H3,(H,34,39)(H,35,40)/b23-22+/t26-,27-,29-,30+,31+/m0/s1
InChIKey IKTMDLUKSPWTSM-AKMDOIBQSA-N
Mol Weight 596.9 g/mol
Molecular Formula C33H60N2O7
Exact Mass 596.440052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PNPRI5HFsr
Name BENGAMIDE-R
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H60N2O7
InChI InChI=1S/C33H60N2O7/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28(36)42-27(23-22-25(2)3)29(37)30(38)31(41-4)33(40)35-26-20-18-19-24-34-32(26)39/h22-23,25-27,29-31,37-38H,5-21,24H2,1-4H3,(H,34,39)(H,35,40)/b23-22+/t26-,27-,29-,30+,31+/m0/s1
InChIKey IKTMDLUKSPWTSM-AKMDOIBQSA-N
Literature Reference Author Z.THALE,F.R.KINDER,K.W.BAIR,J.BONTEMPO,A.M.CZUCHTA,R.W.VERSA CE,P.E.PHILLIPS,M.L.
Literature Reference Citation J.ORG.CHEM.,66,1733(2001)
Literature Reference DOI 10.1021/jo001380+
Molecular Weight 596.849 g/mol
Solvent CDCl3
Source File Reference UWMS26221