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(3S)-1-[(2S)-2-acetoxy-2-phenyl-acetyl]-4-keto-3-(3-ketobutyl)nipecotic acid methyl ester
SpectraBase Compound ID 4nRm2lPiVjj
InChI InChI=1S/C21H25NO7/c1-14(23)9-11-21(20(27)28-3)13-22(12-10-17(21)25)19(26)18(29-15(2)24)16-7-5-4-6-8-16/h4-8,18H,9-13H2,1-3H3/t18-,21-/m0/s1
InChIKey VJVKFSANZHUYRH-RXVVDRJESA-N
Mol Weight 403.43 g/mol
Molecular Formula C21H25NO7
Exact Mass 403.163102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25I2XWDsHI
Name (3S)-1-[(2S)-2-acetoxy-2-phenyl-acetyl]-4-keto-3-(3-ketobutyl)nipecotic acid methyl ester
Alternate Name(s) (3S)-1-[(2S)-2-acetyloxy-1-oxo-2-phenylethyl]-4-oxo-3-(3-oxobutyl)-3-piperidinecarboxylic acid methyl ester Methyl (3S)-1-[(2S)-2-acetoxy-2-phenyl-acetyl]-4-oxo-3-(3-oxobutyl)piperidine-3-carboxylate Methyl (3S)-1-[(2S)-2-acetyloxy-2-phenyl-ethanoyl]-4-oxidanylidene-3-(3-oxidanylidenebutyl)piperidine-3-carboxylate Methyl (3S)-1-[(2S)-2-acetyloxy-2-phenylacetyl]-4-oxo-3-(3-oxobutyl)piperidine-3-carboxylate
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Formula C21H25NO7
InChI InChI=1S/C21H25NO7/c1-14(23)9-11-21(20(27)28-3)13-22(12-10-17(21)25)19(26)18(29-15(2)24)16-7-5-4-6-8-16/h4-8,18H,9-13H2,1-3H3/t18-,21-/m0/s1
InChIKey VJVKFSANZHUYRH-RXVVDRJESA-N
Molecular Weight 403.431 g/mol
SMILES [C@]1(CN(C([C@@](OC(=O)C)(c2ccccc2)[H])=O)CCC1=O)(C(=O)OC)CCC(=O)C
SPLASH splash10-0ab9-9081000000-d96e0d460f9fce6949d5
Source of Spectrum U1-2002-1507-7
Wiley ID 1522329