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1-Nitro-2,3,4,5-tetrachlorobenzene
SpectraBase Compound ID AaD2KeDPRW2
InChI InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H
InChIKey MTBYTWZDRVOMBR-UHFFFAOYSA-N
Mol Weight 260.9 g/mol
Molecular Formula C6HCl4NO2
Exact Mass 258.876139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TCMhhGctmD
Name 2,3,4,5-TETRACHLORONITROBENZOL
CAS Registry Number 879-39-0
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 258.876139074 u
Formula C6HCl4NO2
InChI InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H
InChIKey MTBYTWZDRVOMBR-UHFFFAOYSA-N
Molecular Weight 260.891 g/mol
Nominal Mass 259 u
Number of Peaks 86
SMILES c1(cc(c(Cl)c(Cl)c1Cl)[N+]([O-])=O)Cl
SPLASH splash10-114i-1590000000-5e9fe360aafc05657eff
Source of Spectrum Dr. Rolf Kuehnle
Synonyms 1,2,3,4-tetrachloro-5-nitrobenzene
Technique GC/MS
Wiley ID WID_MSPA_4447