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BENGAMIDE-Q
SpectraBase Compound ID GRHd84Bf0Ao
InChI InChI=1S/C32H58N2O7/c1-6-7-8-9-10-11-12-13-14-15-16-20-27(35)41-26(22-21-24(2)3)28(36)29(37)30(40-5)31(38)33-25-19-17-18-23-34(4)32(25)39/h21-22,24-26,28-30,36-37H,6-20,23H2,1-5H3,(H,33,38)/b22-21+/t25-,26-,28-,29+,30+/m0/s1
InChIKey BIXCWCVYGIQELL-HTSCGYFVSA-N
Mol Weight 582.8 g/mol
Molecular Formula C32H58N2O7
Exact Mass 582.424402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6BhiTvMdhsG
Name BENGAMIDE-Q
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H58N2O7
InChI InChI=1S/C32H58N2O7/c1-6-7-8-9-10-11-12-13-14-15-16-20-27(35)41-26(22-21-24(2)3)28(36)29(37)30(40-5)31(38)33-25-19-17-18-23-34(4)32(25)39/h21-22,24-26,28-30,36-37H,6-20,23H2,1-5H3,(H,33,38)/b22-21+/t25-,26-,28-,29+,30+/m0/s1
InChIKey BIXCWCVYGIQELL-HTSCGYFVSA-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 582.822 g/mol
Solvent CDCl3
Source File Reference UWMS26220