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Benzenepropanenitrile, 4-hydroxy-3-nitro-.beta.-oxo-
SpectraBase Compound ID EFmFKiE5qQq
InChI InChI=1S/C9H6N2O4/c10-4-3-8(12)6-1-2-9(13)7(5-6)11(14)15/h1-2,5,13H,3H2
InChIKey CDHJQBNIKKLXNS-UHFFFAOYSA-N
Mol Weight 206.16 g/mol
Molecular Formula C9H6N2O4
Exact Mass 206.032757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HL56dyuIsZv
Name Benzenepropanenitrile, 4-hydroxy-3-nitro-.beta.-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6N2O4
InChI InChI=1S/C9H6N2O4/c10-4-3-8(12)6-1-2-9(13)7(5-6)11(14)15/h1-2,5,13H,3H2
InChIKey CDHJQBNIKKLXNS-UHFFFAOYSA-N
Molecular Weight 206.157 g/mol
SMILES Oc1ccc(cc1[N+]([O-])=O)C(=O)CC#N
SPLASH splash10-014i-6900000000-27ccc6da592a02b7900f
Source of Spectrum JX-2015-5-793
Synonyms 3-(4-hydroxy-3-nitrophenyl)-3-oxopropanenitrile 3-(4-hydroxy-3-nitro-phenyl)-3-oxo-propanenitrile 3-(3-nitro-4-oxidanyl-phenyl)-3-oxidanylidene-propanenitrile
Wiley ID 1727545