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2,4-Pyrrolidinedicarboxylic acid, 1-methyl-5-phenyl-, 2-ethyl 4-methyl ester, (2.alpha.,4.beta.,5.beta.)-
SpectraBase Compound ID BuhMfxu9dOW
InChI InChI=1S/C16H21NO4/c1-4-21-16(19)13-10-12(15(18)20-3)14(17(13)2)11-8-6-5-7-9-11/h5-9,12-14H,4,10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKey COEWARZJRMXCQB-HZSPNIEDSA-N
Mol Weight 291.35 g/mol
Molecular Formula C16H21NO4
Exact Mass 291.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFW94m9Ea2G
Name 2,4-Pyrrolidinedicarboxylic acid, 1-methyl-5-phenyl-, 2-ethyl 4-methyl ester, (2.alpha.,4.beta.,5.beta.)-
Alternate Name(s) 2-Ethyl 4-methyl (2S,4R,5S)-1-methyl-5-phenyl-2,4-pyrrolidinedicarboxylate Anti-4-endo methyl 5-phenyl-2-ethoxycarbonyl-1-methylpyrrolidin-4-carboxylate
CAS Registry Number 102537-17-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO4
InChI InChI=1S/C16H21NO4/c1-4-21-16(19)13-10-12(15(18)20-3)14(17(13)2)11-8-6-5-7-9-11/h5-9,12-14H,4,10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKey COEWARZJRMXCQB-HZSPNIEDSA-N
Molecular Weight 291.347 g/mol
SMILES [C@]1(N([C@@](C[C@]1(C(=O)OC)[H])(C(=O)OCC)[H])C)(c1ccccc1)[H]
SPLASH splash10-014i-0190000000-ec786102f1c8ca26d32f
Source of Spectrum AJ-60-4076-16
Wiley ID 1294576