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Dimethyl-(2'S,2R)-(+)-4-[2-(methoxymethyl)pyrrolidinoimino]-2-phenyl-1,1-hexanedicarboxylate
SpectraBase Compound ID AMSmhPj5VEX
InChI InChI=1S/C22H32N2O5/c1-5-17(23-24-13-9-12-18(24)15-27-2)14-19(16-10-7-6-8-11-16)20(21(25)28-3)22(26)29-4/h6-8,10-11,18-20H,5,9,12-15H2,1-4H3/b23-17-/t18-,19-/m0/s1
InChIKey SURAZKPOLFGDCT-ACOCUECTSA-N
Mol Weight 404.5 g/mol
Molecular Formula C22H32N2O5
Exact Mass 404.231122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HSlBSC4lQu
Name Dimethyl-(2'S,2R)-(+)-4-[2-(methoxymethyl)pyrrolidinoimino]-2-phenyl-1,1-hexanedicarboxylate
Alternate Name(s) Dimethyl 2-((1R,3Z)-3-{[(2S)-2-(methoxymethyl)pyrrolidinyl]imino}-1-phenylpentyl)malonate
CAS Registry Number 109012-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N2O5
InChI InChI=1S/C22H32N2O5/c1-5-17(23-24-13-9-12-18(24)15-27-2)14-19(16-10-7-6-8-11-16)20(21(25)28-3)22(26)29-4/h6-8,10-11,18-20H,5,9,12-15H2,1-4H3/b23-17-/t18-,19-/m0/s1
InChIKey SURAZKPOLFGDCT-ACOCUECTSA-N
Molecular Weight 404.507 g/mol
SMILES C([C@@](C\C(=N/N1[C@](COC)(CCC1)[H])CC)(c1ccccc1)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-0a4i-0009000000-272a7ef3fd5cba716498
Source of Spectrum K-120-1733-0
Wiley ID 1371310