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(3R,4R,5S)-4-formyl-5-(2-furyl)-3-methyl-pyrrolidine-2,2-diethyl-dicarboxylate
SpectraBase Compound ID 467x78EK5Sd
InChI InChI=1S/C16H21NO6/c1-4-21-14(19)16(15(20)22-5-2)10(3)11(9-18)13(17-16)12-7-6-8-23-12/h6-11,13,17H,4-5H2,1-3H3/t10-,11-,13+/m1/s1
InChIKey LFASEHMROVXZNG-WZRBSPASSA-N
Mol Weight 323.35 g/mol
Molecular Formula C16H21NO6
Exact Mass 323.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjZ2mNBEFvp
Name (3R,4R,5S)-4-formyl-5-(2-furyl)-3-methyl-pyrrolidine-2,2-diethyl-dicarboxylate
Appearance Colorless liquid
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Formula C16H21NO6
InChI InChI=1S/C16H21NO6/c1-4-21-14(19)16(15(20)22-5-2)10(3)11(9-18)13(17-16)12-7-6-8-23-12/h6-11,13,17H,4-5H2,1-3H3/t10-,11-,13+/m1/s1
InChIKey LFASEHMROVXZNG-WZRBSPASSA-N
Instrument Name Hewlett Packard 5989B??
Ionization Type EI
Molecular Weight 323.345 g/mol
Reported Formula C16H21NO6
SMILES N1C([C@@]([C@]([C@]1(c1occc1)[H])(C=O)[H])(C)[H])(C(OCC)=O)C(=O)OCC
SPLASH splash10-0udi-0290000000-2f9e7db5959822490cb3
Sample Comments mixture of endo/exo isomers (>95:<5), 98% ee, 98% ee
Source of Spectrum ES2322739B1
Wiley ID 1841918