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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 2RqOaIvgzBC
Name methyl 2-acetamido-3-[1-(1-cyanoethyl)indol-3-yl]propanoate
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
Instrument Name VG 70-250S
Ionization Type EI
Literature Reference DOI 10.1016/S1044-0305(02)00623-2
Molecular Weight 313.357 g/mol
SMILES N(C(Cc1c2ccccc2[n](c1)C(C)C#N)C(OC)=O)C(C)=O
SPLASH splash10-001i-0921000000-27f1f8d584a1b27e5281
Source of Spectrum A7-13-1299-1299-1
Wiley ID 1843784