For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2R,6R,7S,9R)-2-PHENYL-7,9-DIHEPTADECYL-1-AZA-4,8-DIOXABICYCLO-[4.3.0(1,6)]-NONAN-5-ONE
SpectraBase Compound ID Kj5iGWsO4HJ
InChI InChI=1S/C46H81NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-43-45-46(48)49-40-42(41-36-32-31-33-37-41)47(45)44(50-43)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33,36-37,42-45H,3-30,34-35,38-40H2,1-2H3/t42-,43-,44+,45+/m0/s1
InChIKey NHQXERYXTLGWJW-XIPUPUFSSA-N
Mol Weight 696.2 g/mol
Molecular Formula C46H81NO3
Exact Mass 695.621645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9mzp241QhCg
Name (2R,6R,7S,9R)-2-PHENYL-7,9-DIHEPTADECYL-1-AZA-4,8-DIOXABICYCLO-[4.3.0(1,6)]-NONAN-5-ONE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H81NO3
InChI InChI=1S/C46H81NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-43-45-46(48)49-40-42(41-36-32-31-33-37-41)47(45)44(50-43)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33,36-37,42-45H,3-30,34-35,38-40H2,1-2H3/t42-,43-,44+,45+/m0/s1
InChIKey NHQXERYXTLGWJW-XIPUPUFSSA-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 696.154 g/mol
Sample ID 46651
Solvent CDCl3