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(2S,5R/S)-1-(tert-Butoxycarbonyl)-5-vinylpyrrolidine-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID 79eLudDIjbM
InChI InChI=1S/C16H27NO4/c1-8-11-9-10-12(13(18)20-15(2,3)4)17(11)14(19)21-16(5,6)7/h8,11-12H,1,9-10H2,2-7H3/t11?,12-/m0/s1
InChIKey UXJDZAJGGXHSSR-KIYNQFGBSA-N
Mol Weight 297.4 g/mol
Molecular Formula C16H27NO4
Exact Mass 297.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfP85q9TwN1
Name (2S,5R/S)-1-(tert-Butoxycarbonyl)-5-vinylpyrrolidine-2-carboxylic acid tert-butyl ester
Appearance Yellowish oil
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Formula C16H27NO4
InChI InChI=1S/C16H27NO4/c1-8-11-9-10-12(13(18)20-15(2,3)4)17(11)14(19)21-16(5,6)7/h8,11-12H,1,9-10H2,2-7H3/t11?,12-/m0/s1
InChIKey UXJDZAJGGXHSSR-KIYNQFGBSA-N
Instrument Name Finnigan MAT Incos 50 Galaxy
Ionization Type EI
Molecular Weight 297.395 g/mol
Optical Rotation [a]D20 = -54.6 (c = 0.935, CHCl3)
SMILES [C@]1(N(C(CC1)C=C)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[H]
SPLASH splash10-052e-9700000000-178cbec9ea447a72514e
Sample Comments mixture of epimers
Source of Spectrum US20110034438A1
Thin-Layer Chromatography Rf = 0.24 (SiO2, EE/CH, 1:7)
Wiley ID 1861638