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(4S,5S)-5-(cyanomethyl)-2,2-dimethyl-4-(2-methylpropyl)-3-oxazolidinecarboxylic acid tert-butyl ester
SpectraBase Compound ID 1CqIzahe8AB
InChI InChI=1S/C16H28N2O3/c1-11(2)10-12-13(8-9-17)20-16(6,7)18(12)14(19)21-15(3,4)5/h11-13H,8,10H2,1-7H3/t12-,13-/m0/s1
InChIKey KNDLCBHTDOYPIQ-STQMWFEESA-N
Mol Weight 296.41 g/mol
Molecular Formula C16H28N2O3
Exact Mass 296.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3V2uPstOfg
Name (4S,5S)-5-(cyanomethyl)-2,2-dimethyl-4-(2-methylpropyl)-3-oxazolidinecarboxylic acid tert-butyl ester
Alternate Name(s) (4S,5S)-5-(cyanomethyl)-4-isobutyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester tert-Butyl (4S,5S)-5-(cyanomethyl)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate tert-Butyl (4S,5S)-5-(cyanomethyl)-4-isobutyl-2,2-dimethyl-oxazolidine-3-carboxylate
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Formula C16H28N2O3
InChI InChI=1S/C16H28N2O3/c1-11(2)10-12-13(8-9-17)20-16(6,7)18(12)14(19)21-15(3,4)5/h11-13H,8,10H2,1-7H3/t12-,13-/m0/s1
InChIKey KNDLCBHTDOYPIQ-STQMWFEESA-N
Molecular Weight 296.411 g/mol
SMILES C(N1C(O[C@]([C@@]1(CC(C)C)[H])(CC#N)[H])(C)C)(OC(C)(C)C)=O
SPLASH splash10-053r-7940000000-fa4a4d04e429ba547c20
Source of Spectrum KD-14-552-10
Wiley ID 1635899