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3-{2'-[(Methoxycarbonyl)-2'-(acetylamino)ethyl]-4-[1'-cyanoethyl]-pyrrol
SpectraBase Compound ID 5NnvRvi8IeH
InChI InChI=1S/C17H19N3O3/c1-10(8-18)13-5-4-6-14-16(13)12(9-19-14)7-15(17(22)23-3)20-11(2)21/h4-6,9-10,15,19H,7H2,1-3H3,(H,20,21)
InChIKey SOWIENSYGOJPQL-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 FtnZUEU0xSs
Name 3-{2'-[(Methoxycarbonyl)-2'-(acetylamino)ethyl]-4-[1'-cyanoethyl]-pyrrol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19N3O3
InChI InChI=1S/C17H19N3O3/c1-10(8-18)13-5-4-6-14-16(13)12(9-19-14)7-15(17(22)23-3)20-11(2)21/h4-6,9-10,15,19H,7H2,1-3H3,(H,20,21)
InChIKey SOWIENSYGOJPQL-UHFFFAOYSA-N
Molecular Weight 313.357 g/mol
SMILES [nH]1c2cccc(c2c(CC(C(=O)OC)NC(=O)C)c1)C(C#N)C
SPLASH splash10-053r-0920000000-d446f84b9a1b8e6b2e97
Source of Spectrum JA-13-1299-0
Wiley ID 1536747