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1-nitro-2,3,5,6-tetrachlorobenzene
SpectraBase Compound ID C4Grvwq8Jek
InChI InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H
InChIKey XQTLDIFVVHJORV-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 GWnR6eWB0t6
Name TCNB
CAS Registry Number 117-18-0
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 258.876139074 u
Formula C6HCl4NO2
InChI InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H
InChIKey XQTLDIFVVHJORV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 260.891 g/mol
Nominal Mass 259 u
Quality 1000
Retention Index 1656
SMILES C1(=C(C(=CC(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-]
SPLASH splash10-114i-1590000000-06fb692815e9130ebedf
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms benzene,1,2,4,5-tetrachloro-3-nitro 1,2,4,5-Tetrachloro-3-nitrobenzene
Technique GC/MS
Wiley ID DD2024_017448