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2,4-dinitrophenol, acetate
SpectraBase Compound ID BvF02rNrjUS
InChI InChI=1S/C8H6N2O6/c1-5(11)16-8-3-2-6(9(12)13)4-7(8)10(14)15/h2-4H,1H3
InChIKey CDMLJWCAUSWULM-UHFFFAOYSA-N
Mol Weight 226.14 g/mol
Molecular Formula C8H6N2O6
Exact Mass 226.022586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHFGRTE2xk0
Name 2,4-Dinitrophenol AC
Classification DNAN metabolite derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 226.022585915 u
Formula C8H6N2O6
InChI InChI=1S/C8H6N2O6/c1-5(11)16-8-3-2-6(9(12)13)4-7(8)10(14)15/h2-4H,1H3
InChIKey CDMLJWCAUSWULM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 226.144 g/mol
Nominal Mass 226 u
Quality 951
Retention Index 1729
SMILES C1(=C(C=CC(=C1)[N+](=O)[O-])OC(=O)C)[N+](=O)[O-]
SPLASH splash10-0006-9100000000-bce7991b8f76dec42ad6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,4-dinitrophenyl acetate
Technique GC/MS
Wiley ID DD2024_007652