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(2R,5R)-Dimethyl-N-Etoc-2-phenylpyrrolidin-3,3-dicarboxylate-5-dimethyl malonate
SpectraBase Compound ID 5Yb6LLxmkbJ
InChI InChI=1S/C22H27NO10/c1-6-33-21(28)23-14(15(17(24)29-2)18(25)30-3)12-22(19(26)31-4,20(27)32-5)16(23)13-10-8-7-9-11-13/h7-11,14-16H,6,12H2,1-5H3/t14-,16-/m1/s1
InChIKey LPABDRZHHFIXTQ-GDBMZVCRSA-N
Mol Weight 465.46 g/mol
Molecular Formula C22H27NO10
Exact Mass 465.163496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5fDuUzl5Dl
Name (2R,5R)-Dimethyl-N-Etoc-2-phenylpyrrolidin-3,3-dicarboxylate-5-dimethyl malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO10
InChI InChI=1S/C22H27NO10/c1-6-33-21(28)23-14(15(17(24)29-2)18(25)30-3)12-22(19(26)31-4,20(27)32-5)16(23)13-10-8-7-9-11-13/h7-11,14-16H,6,12H2,1-5H3/t14-,16-/m1/s1
InChIKey LPABDRZHHFIXTQ-GDBMZVCRSA-N
Literature Reference DOI 10.1002/adsc.201000658
Molecular Weight 465.455 g/mol
SMILES C1(C(OC)=O)([C@](N([C@](C1)(C(C(OC)=O)C(OC)=O)[H])C(OCC)=O)(c1ccccc1)[H])C(=O)OC
SPLASH splash10-0a4i-9302000000-190fad7110c6838e69f2
Source of Spectrum ASC-352-2863/SM14-8c
Synonyms (2R,5R)-1-ethyl 3,3-dimethyl 5-(1,3-dimethoxy-1,3-dioxopropan-2-yl)-2-phenylpyrrolidine-1,3,3-tricarboxylate
Wiley ID 1764124