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5-(5-Methoxy-2-(3-nitrophenethyl)phenyl)-1H-pyrrole-3-carbonitrile
SpectraBase Compound ID B9HYkUSptym
InChI InChI=1S/C20H17N3O3/c1-26-18-8-7-16(19(11-18)20-10-15(12-21)13-22-20)6-5-14-3-2-4-17(9-14)23(24)25/h2-4,7-11,13,22H,5-6H2,1H3
InChIKey NYGABRAQEOGOCS-UHFFFAOYSA-N
Mol Weight 347.37 g/mol
Molecular Formula C20H17N3O3
Exact Mass 347.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRp2oIYmPop
Name 5-(5-Methoxy-2-(3-nitrophenethyl)phenyl)-1H-pyrrole-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N3O3
InChI InChI=1S/C20H17N3O3/c1-26-18-8-7-16(19(11-18)20-10-15(12-21)13-22-20)6-5-14-3-2-4-17(9-14)23(24)25/h2-4,7-11,13,22H,5-6H2,1H3
InChIKey NYGABRAQEOGOCS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00141
Molecular Weight 347.374 g/mol
SMILES [nH]1c(cc(c1)C#N)-c1c(ccc(c1)OC)CCc1cc(ccc1)[N+](=O)[O-]
SPLASH splash10-00kf-0193000000-17d3035af4492e81da5b
Source of Spectrum A1-18-852/SM20-4h
Wiley ID 1805207