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(+)-cis-2-[Bis(4-bromophenyl)methyl]-N-[[1-(1-naphthyl)ethyl]carbamoyl]-1-azabicyclo[2.2.2]octan-3-amine

View entire compound with spectra: 2 MS (GC)

(+)-cis-2-[Bis(4-bromophenyl)methyl]-N-[[1-(1-naphthyl)ethyl]carbamoyl]-1-azabicyclo[2.2.2]octan-3-amine
SpectraBase Compound ID 495BOr0mKZw
InChI InChI=1S/C33H33Br2N3O/c1-21(28-8-4-6-22-5-2-3-7-29(22)28)36-33(39)37-31-25-17-19-38(20-18-25)32(31)30(23-9-13-26(34)14-10-23)24-11-15-27(35)16-12-24/h2-16,21,25,30-32H,17-20H2,1H3,(H2,36,37,39)/t21?,31-,32-/m1/s1
InChIKey CWINFQBQOAQITB-VHNXKLIHSA-N
Mol Weight 647.5 g/mol
Molecular Formula C33H33Br2N3O
Exact Mass 645.099039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIuDVWVrZz9
Name (+)-cis-2-[Bis(4-bromophenyl)methyl]-N-[[1-(1-naphthyl)ethyl]carbamoyl]-1-azabicyclo[2.2.2]octan-3-amine
Alternate Name(s) cis-2-[Bis(4-bromophenyl)methyl]-N-[[1-(1-naphthyl)ethyl]carbamoyl]-1-azabicyclo[2.2.2]octan-3-amine N-{(2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]oct-3-yl}-N'-[1-(1-naphthyl)ethyl]urea
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Formula C33H33Br2N3O
InChI InChI=1S/C33H33Br2N3O/c1-21(28-8-4-6-22-5-2-3-7-29(22)28)36-33(39)37-31-25-17-19-38(20-18-25)32(31)30(23-9-13-26(34)14-10-23)24-11-15-27(35)16-12-24/h2-16,21,25,30-32H,17-20H2,1H3,(H2,36,37,39)/t21?,31-,32-/m1/s1
InChIKey CWINFQBQOAQITB-VHNXKLIHSA-N
Molecular Weight 647.455 g/mol
SMILES N([C@]1([C@](N2CCC1CC2)(C(c1ccc(cc1)Br)c1ccc(cc1)Br)[H])[H])C(NC(C)c1cccc2ccccc12)=O
SPLASH splash10-05fr-0809000000-c465e1a47b630996f4c6
Source of Spectrum F2-35-2598-0
Wiley ID 1574153