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2,6-Dinitrotoluene
SpectraBase Compound ID 799a4ueepUd
InChI InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3
InChIKey XTRDKALNCIHHNI-UHFFFAOYSA-N
Mol Weight 182.13 g/mol
Molecular Formula C7H6N2O4
Exact Mass 182.032757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTxwP8S51Ot
Name Benzene, 2-methyl-1,3-dinitro-
Alternate Name(s) 1-Methyl-2,6-dinitrobenzene 2,6-Dinitromethylbenzene 2,6-Dinitrotoluene 2,6-Dnt 2-Methyl-1,3-dinitro-benzene Toluene, 2,6-dinitro- BRN 2052046 CCRIS 1006 EINECS 210-106-0 HSDB 2931 RCRA WASTE NO. U106
CAS Registry Number 606-20-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N2O4
InChI InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3
InChIKey XTRDKALNCIHHNI-UHFFFAOYSA-N
Molecular Weight 182.135 g/mol
SMILES Cc1c(cccc1N(=O)=O)N(=O)=O
SPLASH splash10-02tc-9400000000-c19f76ff81e5d327e965
Source of Spectrum WS-1986-340-0
Wiley ID 1177943