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2,5-dinitrotoluene
SpectraBase Compound ID 69sWpxr6tJf
InChI InChI=1S/C7H6N2O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3
InChIKey KZBOXYKTSUUBTO-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 LYdGt6pQ1Mi
Name Benzene, 2-methyl-1,4-dinitro-
Alternate Name(s) 2-Methyl-1,4-dinitrobenzene 2,5-Dinitrotoluene 2,5-DNT Toluene, 2,5-dinitro- BRN 2213718 CCRIS 2838 EINECS 210-581-4 HSDB 5504 NSC 159120
CAS Registry Number 619-15-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N2O4
InChI InChI=1S/C7H6N2O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3
InChIKey KZBOXYKTSUUBTO-UHFFFAOYSA-N
Molecular Weight 182.135 g/mol
SMILES c1(N(=O)=O)cc(C)c(N(=O)=O)cc1
SPLASH splash10-02vr-9300000000-0b7a716e068627c235ef
Source of Spectrum AD-0-5845-0
Wiley ID 18556