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Dimethyl-(2'S,2R)-(+)-4-[2-(methoxymethyl)pyrrolidinoimino]-2-phenyl-1,1-pentanedicarboxylate
SpectraBase Compound ID 2x7LwDTkszJ
InChI InChI=1S/C21H30N2O5/c1-15(22-23-12-8-11-17(23)14-26-2)13-18(16-9-6-5-7-10-16)19(20(24)27-3)21(25)28-4/h5-7,9-10,17-19H,8,11-14H2,1-4H3/b22-15+/t17-,18-/m0/s1
InChIKey MKAAIWYMLSIXCR-RLCBSASNSA-N
Mol Weight 390.48 g/mol
Molecular Formula C21H30N2O5
Exact Mass 390.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxS8AscYrNc
Name Dimethyl-(2'S,2R)-(+)-4-[2-(methoxymethyl)pyrrolidinoimino]-2-phenyl-1,1-pentanedicarboxylate
Alternate Name(s) Dimethyl 2-((1R,3E)-3-{[(2S)-2-(methoxymethyl)pyrrolidinyl]imino}-1-phenylbutyl)malonate
CAS Registry Number 109012-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N2O5
InChI InChI=1S/C21H30N2O5/c1-15(22-23-12-8-11-17(23)14-26-2)13-18(16-9-6-5-7-10-16)19(20(24)27-3)21(25)28-4/h5-7,9-10,17-19H,8,11-14H2,1-4H3/b22-15+/t17-,18-/m0/s1
InChIKey MKAAIWYMLSIXCR-RLCBSASNSA-N
Molecular Weight 390.480 g/mol
SMILES C([C@@](C\C(=N\N1[C@](COC)(CCC1)[H])C)(c1ccccc1)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-0006-9002000000-4219c819757ec2d575ab
Source of Spectrum K-120-1733-0
Wiley ID 1364805