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(3R,4R,5S)-4-formyl-3-methyl-5-(o-tolyl)-pyrrolidine-2,2-diethyl-dicarboxylate
SpectraBase Compound ID 6rFfVE9afZ9
InChI InChI=1S/C19H25NO5/c1-5-24-17(22)19(18(23)25-6-2)13(4)15(11-21)16(20-19)14-10-8-7-9-12(14)3/h7-11,13,15-16,20H,5-6H2,1-4H3/t13-,15-,16-/m1/s1
InChIKey DAYBFSUHXWDCIB-FVQBIDKESA-N
Mol Weight 347.41 g/mol
Molecular Formula C19H25NO5
Exact Mass 347.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K54z2EYhGYr
Name (3R,4R,5S)-4-formyl-3-methyl-5-(o-tolyl)-pyrrolidine-2,2-diethyl-dicarboxylate
Appearance Colorless liquid
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Formula C19H25NO5
InChI InChI=1S/C19H25NO5/c1-5-24-17(22)19(18(23)25-6-2)13(4)15(11-21)16(20-19)14-10-8-7-9-12(14)3/h7-11,13,15-16,20H,5-6H2,1-4H3/t13-,15-,16-/m1/s1
InChIKey DAYBFSUHXWDCIB-FVQBIDKESA-N
Instrument Name Hewlett Packard 5989B??
Ionization Type EI
Molecular Weight 347.411 g/mol
Reported Formula C19H25NO5
SMILES N1C([C@@]([C@]([C@]1(c1c(cccc1)C)[H])(C=O)[H])(C)[H])(C(OCC)=O)C(=O)OCC
SPLASH splash10-00di-0290000000-fc168207acfc09da9b78
Sample Comments 99% ee
Source of Spectrum ES2322739B1
Wiley ID 1841911