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2-(Hydroxyimino)-3-(4-nitrophenyl)propanenitrile
SpectraBase Compound ID 89WulfxWZYy
InChI InChI=1S/C9H7N3O3/c10-6-8(11-13)5-7-1-3-9(4-2-7)12(14)15/h1-4,13H,5H2
InChIKey FULBJJDNYKQIBH-UHFFFAOYSA-N
Mol Weight 205.17 g/mol
Molecular Formula C9H7N3O3
Exact Mass 205.048741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXFB0ZbAezj
Name 2-(Hydroxyimino)-3-(4-nitrophenyl)propanenitrile
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N3O3
InChI InChI=1S/C9H7N3O3/c10-6-8(11-13)5-7-1-3-9(4-2-7)12(14)15/h1-4,13H,5H2
InChIKey FULBJJDNYKQIBH-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 205.173 g/mol
SMILES ON=C(Cc1ccc(cc1)[N+](=O)[O-])C#N
SPLASH splash10-054x-7930000000-69f0dbb08baba3588d0a
Sample Comments E/Z = 1:1
Source of Spectrum DE102012010413A1
Thin-Layer Chromatography Rf = 0.4 (EtOAc/hexane, 1:2)
Wiley ID 1852177