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1-(tert-butyl) 2-methyl (2S,4R)-4-vinylpyrrolidine-1,2-dicarboxylate
SpectraBase Compound ID 6HgedEPOKtT
InChI InChI=1S/C13H21NO4/c1-6-9-7-10(11(15)17-5)14(8-9)12(16)18-13(2,3)4/h6,9-10H,1,7-8H2,2-5H3/t9-,10-/m0/s1
InChIKey GPJMXQRAZSIMKY-UWVGGRQHSA-N
Mol Weight 255.31 g/mol
Molecular Formula C13H21NO4
Exact Mass 255.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6U6OIOVQVmv
Name 1-(tert-butyl) 2-methyl (2S,4R)-4-vinylpyrrolidine-1,2-dicarboxylate
Appearance Colorless oil
Carrier Gas Hydrogen
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Formula C13H21NO4
GC Oven Program Oven temp 300oC
InChI InChI=1S/C13H21NO4/c1-6-9-7-10(11(15)17-5)14(8-9)12(16)18-13(2,3)4/h6,9-10H,1,7-8H2,2-5H3/t9-,10-/m0/s1
InChIKey GPJMXQRAZSIMKY-UWVGGRQHSA-N
Instrument Name Agilent HP6890-5937N
Ionization Type EI
Literature Reference DOI 10.1002/cbic.202200372
Molecular Weight 255.314 g/mol
Optical Rotation [a]D20 = -28.81 (c = 0.405, CHCl3)
Reported Formula C13H21NO4
SMILES [C@]1(N(C[C@](C1)(C=C)[H])C(=O)OC(C)(C)C)(C(=O)OC)[H]
SPLASH splash10-0a4m-9400000000-d936709de050a0718fc1
Sample Comments dr = 10:1
Source of Spectrum CBC-23-SM5-8
Thin-Layer Chromatography Rf = 0.31 (EtOAc/cHex, 1:2)
Wiley ID 1876086