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(3R,4S)-1-(2-tert-butoxy-2-keto-ethyl)-4-ethyl-2-keto-nipecotic acid benzyl ester
SpectraBase Compound ID 6OCOS1K7Xnh
InChI InChI=1S/C21H29NO5/c1-5-16-11-12-22(13-17(23)27-21(2,3)4)19(24)18(16)20(25)26-14-15-9-7-6-8-10-15/h6-10,16,18H,5,11-14H2,1-4H3/t16-,18+/m0/s1
InChIKey ANQPFLNJPJWMEW-FUHWJXTLSA-N
Mol Weight 375.47 g/mol
Molecular Formula C21H29NO5
Exact Mass 375.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTnda3GnorZ
Name (3R,4S)-1-(2-tert-butoxy-2-keto-ethyl)-4-ethyl-2-keto-nipecotic acid benzyl ester
Alternate Name(s) (3R,4S)-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-3-piperidinecarboxylic acid (phenylmethyl) ester (phenylmethyl) (3R,4S)-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-2-oxidanylidene-piperidine-3-carboxylate benzyl (3R,4S)-1-(2-tert-butoxy-2-oxo-ethyl)-4-ethyl-2-oxo-piperidine-3-carboxylate benzyl (3R,4S)-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperidine-3-carboxylate
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Formula C21H29NO5
InChI InChI=1S/C21H29NO5/c1-5-16-11-12-22(13-17(23)27-21(2,3)4)19(24)18(16)20(25)26-14-15-9-7-6-8-10-15/h6-10,16,18H,5,11-14H2,1-4H3/t16-,18+/m0/s1
InChIKey ANQPFLNJPJWMEW-FUHWJXTLSA-N
Molecular Weight 375.465 g/mol
SMILES C1(N(CC(OC(C)(C)C)=O)CC[C@@]([C@]1(C(OCc1ccccc1)=O)[H])(CC)[H])=O
SPLASH splash10-014l-9774000000-09426afb944648b100e2
Source of Spectrum F-68-9550-8
Wiley ID 1573881