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(5R)-5-[2-(4-bromophenyl)ethyl]-2-keto-nipecotic acid ethyl ester
SpectraBase Compound ID 5A4GtdO6Xba
InChI InChI=1S/C16H20BrNO3/c1-2-21-16(20)14-9-12(10-18-15(14)19)4-3-11-5-7-13(17)8-6-11/h5-8,12,14H,2-4,9-10H2,1H3,(H,18,19)/t12-,14?/m1/s1
InChIKey GCHPZDAHQMLIBC-PUODRLBUSA-N
Mol Weight 354.24 g/mol
Molecular Formula C16H20BrNO3
Exact Mass 353.062657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrY86wm4yEs
Name (5R)-5-[2-(4-bromophenyl)ethyl]-2-keto-nipecotic acid ethyl ester
Alternate Name(s) (5R)-5-[2-(4-bromophenyl)ethyl]-2-oxo-3-piperidinecarboxylic acid ethyl ester ethyl (5R)-5-[2-(4-bromophenyl)ethyl]-2-oxidanylidene-piperidine-3-carboxylate ethyl (5R)-5-[2-(4-bromophenyl)ethyl]-2-oxo-piperidine-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C16H20BrNO3
InChI InChI=1S/C16H20BrNO3/c1-2-21-16(20)14-9-12(10-18-15(14)19)4-3-11-5-7-13(17)8-6-11/h5-8,12,14H,2-4,9-10H2,1H3,(H,18,19)/t12-,14?/m1/s1
InChIKey GCHPZDAHQMLIBC-PUODRLBUSA-N
Molecular Weight 354.244 g/mol
SMILES N1C[C@@](CC(C1=O)C(=O)OCC)(CCc1ccc(cc1)Br)[H]
SPLASH splash10-0pb9-0009000000-ab2aa1c4190bdf6c32fb
Source of Spectrum J-59-7043-18
Wiley ID 1343821