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(1R*,5S*,9S*)-9-HYDROXY-3-(3-PHENYLPROPYL)-3-AZABICYCLO-[3.3.1]-NON-1-YLMETHYL-2-AMINOBENZOATE
SpectraBase Compound ID HL6hKuWe2Y8
InChI InChI=1S/C25H32N2O3/c26-22-13-5-4-12-21(22)24(29)30-18-25-14-6-11-20(23(25)28)16-27(17-25)15-7-10-19-8-2-1-3-9-19/h1-5,8-9,12-13,20,23,28H,6-7,10-11,14-18,26H2/t20-,23+,25-/m1/s1
InChIKey HKVATSLVXOSSJM-JHMXWDHMSA-N
Mol Weight 408.5 g/mol
Molecular Formula C25H32N2O3
Exact Mass 408.241293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9YBb9026tdj
Name (1R*,5S*,9S*)-9-HYDROXY-3-(3-PHENYLPROPYL)-3-AZABICYCLO-[3.3.1]-NON-1-YLMETHYL-2-AMINOBENZOATE
Compound Number 3 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32N2O3
InChI InChI=1S/C25H32N2O3/c26-22-13-5-4-12-21(22)24(29)30-18-25-14-6-11-20(23(25)28)16-27(17-25)15-7-10-19-8-2-1-3-9-19/h1-5,8-9,12-13,20,23,28H,6-7,10-11,14-18,26H2/t20-,23+,25-/m1/s1
InChIKey HKVATSLVXOSSJM-JHMXWDHMSA-N
Literature Reference Author M.A.BRIMBLE,C.BROCKE
Literature Reference Citation EUR.J.ORG.CHEM.,2385(2005)
Molecular Weight 408.541 g/mol
Sample ID 39443
Solvent CDCl3