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2-[2-(Hydroxymethyl)-4-nitrophenoxy]acetonitrile
SpectraBase Compound ID HrAAVep9jgN
InChI InChI=1S/C9H8N2O4/c10-3-4-15-9-2-1-8(11(13)14)5-7(9)6-12/h1-2,5,12H,4,6H2
InChIKey KRQPXPOQRJEFOY-UHFFFAOYSA-N
Mol Weight 208.17 g/mol
Molecular Formula C9H8N2O4
Exact Mass 208.048407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ft6saLNkLkE
Name 2-[2-(Hydroxymethyl)-4-nitrophenoxy]acetonitrile
Alternate Name(s) 2-(2-(hydroxymethyl)-4-nitrophenoxy)acetonitrile 2-[2-(hydroxymethyl)-4-nitro-phenoxy]acetonitrile 2-[2-(hydroxymethyl)-4-nitro-phenoxy]ethanenitrile
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Formula C9H8N2O4
InChI InChI=1S/C9H8N2O4/c10-3-4-15-9-2-1-8(11(13)14)5-7(9)6-12/h1-2,5,12H,4,6H2
InChIKey KRQPXPOQRJEFOY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol401610e
Molecular Weight 208.173 g/mol
SMILES OCc1c(ccc(c1)[N+](=O)[O-])OCC#N
SPLASH splash10-014i-9300000000-fcb7dff52c9553adc90d
Source of Spectrum A1-15-3876/SMS4-11b
Wiley ID 1748923