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1,4-Dinitrobenzene
SpectraBase Compound ID BvEResyMLMi
InChI InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
InChIKey FYFDQJRXFWGIBS-UHFFFAOYSA-N
Mol Weight 168.11 g/mol
Molecular Formula C6H4N2O4
Exact Mass 168.017107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oSTZGfoMxU
Name 1,4-Dinitrobenzene
CAS Registry Number 100-25-4
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 168.017106613 u
Formula C6H4N2O4
InChI InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
InChIKey FYFDQJRXFWGIBS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 168.108 g/mol
Nominal Mass 168 u
Quality 949
Retention Index 1339
SMILES C1([N+](=O)[O-])=CC=C([N+](=O)[O-])C=C1
SPLASH splash10-00or-9200000000-ccdcaaba1c23cbcdc963
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1,4-dinitrobenzene
Technique GC/MS
Wiley ID DD2024_001159