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3-{2'-[(Methoxycarbonyl)-2'-(acetylamino)ethyl]-N-[1'-cyanoethyl]-pyrrol
SpectraBase Compound ID LcNdlZIS8rh
InChI InChI=1S/C17H19N3O3/c1-11(9-18)20-10-13(14-6-4-5-7-16(14)20)8-15(17(22)23-3)19-12(2)21/h4-7,10-11,15H,8H2,1-3H3,(H,19,21)
InChIKey VPIYXDJLBJZNDF-UHFFFAOYSA-N
Mol Weight 313.36 g/mol
Molecular Formula C17H19N3O3
Exact Mass 313.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQtTGwq8GeU
Name 3-{2'-[(Methoxycarbonyl)-2'-(acetylamino)ethyl]-N-[1'-cyanoethyl]-pyrrol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19N3O3
InChI InChI=1S/C17H19N3O3/c1-11(9-18)20-10-13(14-6-4-5-7-16(14)20)8-15(17(22)23-3)19-12(2)21/h4-7,10-11,15H,8H2,1-3H3,(H,19,21)
InChIKey VPIYXDJLBJZNDF-UHFFFAOYSA-N
Molecular Weight 313.357 g/mol
SMILES N(C(Cc1c[n](c2c1cccc2)C(C#N)C)C(=O)OC)C(=O)C
SPLASH splash10-001i-0921000000-25ac04be0509eaf6aa83
Source of Spectrum JA-13-1299-0
Wiley ID 1536748