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(1R*,5S*,8S*)-8-(2-AMINOBENZOYL)-3-(3-PHENYLPROPYL)-3-AZABICYCLO-[3.2.1]-OCT-1-YLMETHYL-2-AMINOBENZOATE
SpectraBase Compound ID LHXl7E8y3FL
InChI InChI=1S/C31H35N3O4/c32-26-14-6-4-12-24(26)29(35)37-21-31-17-16-23(28(31)38-30(36)25-13-5-7-15-27(25)33)19-34(20-31)18-8-11-22-9-2-1-3-10-22/h1-7,9-10,12-15,23,28H,8,11,16-21,32-33H2/t23-,28+,31-/m1/s1
InChIKey CMZUEJZDQWJRNG-FZIXDTKSSA-N
Mol Weight 513.6 g/mol
Molecular Formula C31H35N3O4
Exact Mass 513.262757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GpBJ7WYKgs5
Name (1R*,5S*,8S*)-8-(2-AMINOBENZOYL)-3-(3-PHENYLPROPYL)-3-AZABICYCLO-[3.2.1]-OCT-1-YLMETHYL-2-AMINOBENZOATE
Compound Number 41
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H35N3O4
InChI InChI=1S/C31H35N3O4/c32-26-14-6-4-12-24(26)29(35)37-21-31-17-16-23(28(31)38-30(36)25-13-5-7-15-27(25)33)19-34(20-31)18-8-11-22-9-2-1-3-10-22/h1-7,9-10,12-15,23,28H,8,11,16-21,32-33H2/t23-,28+,31-/m1/s1
InChIKey CMZUEJZDQWJRNG-FZIXDTKSSA-N
Literature Reference Author M.A.BRIMBLE,C.BROCKE
Literature Reference Citation EUR.J.ORG.CHEM.,2385(2005)
Molecular Weight 513.637 g/mol
Sample ID 39445
Solvent CDCl3