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(3R,4S)-1-(2-tert-butoxy-2-keto-ethyl)-2-keto-4-phenyl-nipecotic acid benzyl ester
SpectraBase Compound ID FvD1XlXOSDA
InChI InChI=1S/C25H29NO5/c1-25(2,3)31-21(27)16-26-15-14-20(19-12-8-5-9-13-19)22(23(26)28)24(29)30-17-18-10-6-4-7-11-18/h4-13,20,22H,14-17H2,1-3H3/t20-,22-/m1/s1
InChIKey RSVUJMUGYCBGBN-IFMALSPDSA-N
Mol Weight 423.51 g/mol
Molecular Formula C25H29NO5
Exact Mass 423.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19zT5Uq02a
Name (3R,4S)-1-(2-tert-butoxy-2-keto-ethyl)-2-keto-4-phenyl-nipecotic acid benzyl ester
Alternate Name(s) (3R,4S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-3-piperidinecarboxylic acid (phenylmethyl) ester (phenylmethyl) (3R,4S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-2-oxidanylidene-4-phenyl-piperidine-3-carboxylate benzyl (3R,4S)-1-(2-tert-butoxy-2-oxo-ethyl)-2-oxo-4-phenyl-piperidine-3-carboxylate benzyl (3R,4S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenylpiperidine-3-carboxylate
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Formula C25H29NO5
InChI InChI=1S/C25H29NO5/c1-25(2,3)31-21(27)16-26-15-14-20(19-12-8-5-9-13-19)22(23(26)28)24(29)30-17-18-10-6-4-7-11-18/h4-13,20,22H,14-17H2,1-3H3/t20-,22-/m1/s1
InChIKey RSVUJMUGYCBGBN-IFMALSPDSA-N
Molecular Weight 423.509 g/mol
SMILES [C@]1(C(N(CC(OC(C)(C)C)=O)CC[C@@]1(c1ccccc1)[H])=O)(C(OCc1ccccc1)=O)[H]
SPLASH splash10-07do-7094000000-749b242e2bf2a903ce9a
Source of Spectrum F-68-9550-8
Wiley ID 1573880