John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=b6i10jLYPY SpectraBase Spectrum ID=2a1SAdWJuQP

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BENGAMIDE-P
SpectraBase Compound ID b6i10jLYPY
InChI InChI=1S/C31H56N2O7/c1-5-6-7-8-9-10-11-12-13-14-15-19-26(34)40-25(21-20-23(2)3)27(35)28(36)29(39-4)31(38)33-24-18-16-17-22-32-30(24)37/h20-21,23-25,27-29,35-36H,5-19,22H2,1-4H3,(H,32,37)(H,33,38)/b21-20+/t24-,25-,27-,28+,29+/m0/s1
InChIKey ZVRFWGNDDYSRLF-XDJLQSMLSA-N
Mol Weight 568.8 g/mol
Molecular Formula C31H56N2O7
Exact Mass 568.408753 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2a1SAdWJuQP
Name BENGAMIDE-P
Compound Number 9A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H56N2O7
InChI InChI=1S/C31H56N2O7/c1-5-6-7-8-9-10-11-12-13-14-15-19-26(34)40-25(21-20-23(2)3)27(35)28(36)29(39-4)31(38)33-24-18-16-17-22-32-30(24)37/h20-21,23-25,27-29,35-36H,5-19,22H2,1-4H3,(H,32,37)(H,33,38)/b21-20+/t24-,25-,27-,28+,29+/m0/s1
InChIKey ZVRFWGNDDYSRLF-XDJLQSMLSA-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 568.795 g/mol
Solvent CDCl3
Source File Reference UWMS26219
SpectraBase Batch ID AcgKc0gdO14