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(3R)-3-(2-ketopyrrolidino)caprylic acid tert-butyl ester
SpectraBase Compound ID HqGxwbud5pH
InChI InChI=1S/C16H29NO3/c1-5-6-7-9-13(17-11-8-10-14(17)18)12-15(19)20-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1
InChIKey HSNHBJCCDRNQPU-CYBMUJFWSA-N
Mol Weight 283.41 g/mol
Molecular Formula C16H29NO3
Exact Mass 283.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESwrQuG0bKI
Name (3R)-3-(2-ketopyrrolidino)caprylic acid tert-butyl ester
Alternate Name(s) (3R)-3-(2-oxo-1-pyrrolidinyl)octanoic acid tert-butyl ester tert-Butyl (3R)-3-(2-oxidanylidenepyrrolidin-1-yl)octanoate tert-Butyl (3R)-3-(2-oxopyrrolidin-1-yl)octanoate
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Formula C16H29NO3
InChI InChI=1S/C16H29NO3/c1-5-6-7-9-13(17-11-8-10-14(17)18)12-15(19)20-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1
InChIKey HSNHBJCCDRNQPU-CYBMUJFWSA-N
Molecular Weight 283.412 g/mol
SMILES C1(N(CCC1)[C@@](CC(OC(C)(C)C)=O)(CCCCC)[H])=O
SPLASH splash10-0cdi-9630000000-45b58c91f7116b5c4176
Source of Spectrum KC-0-1926-29
Wiley ID 831108