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Ethyl (1R,6R)-2,2-Ethylenedioxy)-6-[2-[(2'S)-2'-(methoxymethyl)pyrrolidino]imino]butyl]cyclohexanecarboxylate
SpectraBase Compound ID 2CqGBpM89Mj
InChI InChI=1S/C21H36N2O5/c1-4-17(22-23-11-7-9-18(23)15-25-3)14-16-8-6-10-21(27-12-13-28-21)19(16)20(24)26-5-2/h16,18-19H,4-15H2,1-3H3/b22-17-/t16-,18+,19+/m1/s1
InChIKey BGANKQHAXNDMPY-PSVHIBCGSA-N
Mol Weight 396.5 g/mol
Molecular Formula C21H36N2O5
Exact Mass 396.262422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23DYzpW2gy
Name Ethyl (1R,6R)-2,2-Ethylenedioxy)-6-[2-[(2'S)-2'-(methoxymethyl)pyrrolidino]imino]butyl]cyclohexanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36N2O5
InChI InChI=1S/C21H36N2O5/c1-4-17(22-23-11-7-9-18(23)15-25-3)14-16-8-6-10-21(27-12-13-28-21)19(16)20(24)26-5-2/h16,18-19H,4-15H2,1-3H3/b22-17-/t16-,18+,19+/m1/s1
InChIKey BGANKQHAXNDMPY-PSVHIBCGSA-N
Molecular Weight 396.528 g/mol
SMILES [C@]1(C2(OCCO2)CCC[C@@]1(C\C(=N/N1[C@](COC)(CCC1)[H])CC)[H])(C(=O)OCC)[H]
SPLASH splash10-0udl-9607000000-692dde5cbf328f817b91
Source of Spectrum SO-0-211-3
Wiley ID 873443