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5-Ethyl 2,3-dimethyl (2R*,3R*,5R*)-2-phenylpyrrolidine-2,3,5-tricarboxylate
SpectraBase Compound ID HUljj8RGrvR
InChI InChI=1S/C17H21NO6/c1-4-24-15(20)13-10-12(14(19)22-2)17(18-13,16(21)23-3)11-8-6-5-7-9-11/h5-9,12-13,18H,4,10H2,1-3H3/t12-,13+,17-/m0/s1
InChIKey XEKCANUXVFQZSP-AHIWAGSCSA-N
Mol Weight 335.36 g/mol
Molecular Formula C17H21NO6
Exact Mass 335.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsCbh4UFRXV
Name 5-Ethyl 2,3-dimethyl (2R*,3R*,5R*)-2-phenylpyrrolidine-2,3,5-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO6
InChI InChI=1S/C17H21NO6/c1-4-24-15(20)13-10-12(14(19)22-2)17(18-13,16(21)23-3)11-8-6-5-7-9-11/h5-9,12-13,18H,4,10H2,1-3H3/t12-,13+,17-/m0/s1
InChIKey XEKCANUXVFQZSP-AHIWAGSCSA-N
Literature Reference DOI 10.1016/j.tet.2015.09.039
Molecular Weight 335.356 g/mol
SMILES N1[C@](C[C@]([C@]1(C(OC)=O)c1ccccc1)(C(=O)OC)[H])(C(=O)OCC)[H]
SPLASH splash10-004i-0390000000-bbbb91b5c869d545768f
Source of Spectrum F-71-8813-endo_cis_4f
Synonyms 5-Ethyl 2,3-dimethyl (2R,3R,5R)-2-phenylpyrrolidine-2,3,5-tricarboxylate
Wiley ID 1803231