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(3R,4S)-1-(2-tert-butoxy-2-keto-ethyl)-2-keto-4-phenyl-nipecotic acid
SpectraBase Compound ID 1a5Qs28i1Mu
InChI InChI=1S/C18H23NO5/c1-18(2,3)24-14(20)11-19-10-9-13(12-7-5-4-6-8-12)15(16(19)21)17(22)23/h4-8,13,15H,9-11H2,1-3H3,(H,22,23)/t13-,15-/m1/s1
InChIKey UNBXFWAUHABCQE-UKRRQHHQSA-N
Mol Weight 333.38 g/mol
Molecular Formula C18H23NO5
Exact Mass 333.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Qhv0SxF4lt
Name (3R,4S)-1-(2-tert-butoxy-2-keto-ethyl)-2-keto-4-phenyl-nipecotic acid
Alternate Name(s) (3R,4S)-1-(2-tert-butoxy-2-oxo-ethyl)-2-oxo-4-phenyl-piperidine-3-carboxylic acid (3R,4S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-2-oxidanylidene-4-phenyl-piperidine-3-carboxylic acid (3R,4S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-3-piperidinecarboxylic acid (3R,4S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenylpiperidine-3-carboxylic acid
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Formula C18H23NO5
InChI InChI=1S/C18H23NO5/c1-18(2,3)24-14(20)11-19-10-9-13(12-7-5-4-6-8-12)15(16(19)21)17(22)23/h4-8,13,15H,9-11H2,1-3H3,(H,22,23)/t13-,15-/m1/s1
InChIKey UNBXFWAUHABCQE-UKRRQHHQSA-N
Molecular Weight 333.384 g/mol
SMILES OC([C@]1(C(N(CC(OC(C)(C)C)=O)CC[C@@]1(c1ccccc1)[H])=O)[H])=O
SPLASH splash10-0a5i-9460000000-00ad04b1a6619b5bd8ee
Source of Spectrum F-68-9550-9
Wiley ID 1573832