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(2R,6R,7S,9R)-2-PHENYL-7,9-DIHEXADECYL-1-AZA-4,8-DIOXABICYCLO-[4.3.0(1,6)]-NONAN-5-ONE
SpectraBase Compound ID 3s7XA38Ckhe
InChI InChI=1S/C44H77NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-36-41-43-44(46)47-38-40(39-34-30-29-31-35-39)45(43)42(48-41)37-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,34-35,40-43H,3-28,32-33,36-38H2,1-2H3/t40-,41-,42+,43+/m0/s1
InChIKey FLXQCVLFDFZEGT-SKQWTEPWSA-N
Mol Weight 668.1 g/mol
Molecular Formula C44H77NO3
Exact Mass 667.590345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InmJf5rK388
Name (2R,6R,7S,9R)-2-PHENYL-7,9-DIHEXADECYL-1-AZA-4,8-DIOXABICYCLO-[4.3.0(1,6)]-NONAN-5-ONE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H77NO3
InChI InChI=1S/C44H77NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-36-41-43-44(46)47-38-40(39-34-30-29-31-35-39)45(43)42(48-41)37-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,34-35,40-43H,3-28,32-33,36-38H2,1-2H3/t40-,41-,42+,43+/m0/s1
InChIKey FLXQCVLFDFZEGT-SKQWTEPWSA-N
Literature Reference Author V.A.BROME,L.M.HARWOOD,H.M.I.OSBORN
Literature Reference Citation CAN.J.CHEM.,84,1448(2006)
Literature Reference DOI 10.1139/v06-121
Molecular Weight 668.100 g/mol
Sample ID 46650
Solvent CDCl3