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3,4-Dinitrotoluene
SpectraBase Compound ID KSPuPealTk0
InChI InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3
InChIKey INYDMNPNDHRJQJ-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 JuhdwKyWUwM
Name Benzene, 4-methyl-1,2-dinitro-
CAS Registry Number 610-39-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N2O4
InChI InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3
InChIKey INYDMNPNDHRJQJ-UHFFFAOYSA-N
Molecular Weight 182.135 g/mol
SMILES c1(N(=O)=O)c(cc(C)cc1)N(=O)=O
SPLASH splash10-001i-0900000000-2a3ebd5dfe110eb08eda
Source of Spectrum JC-518-31-0
Synonyms 4-Methyl-1,2-dinitrobenzene 3,4-Dinitrotoluene 3,4-DNT Toluene, 3,4-dinitro- CCRIS 2839 EINECS 210-222-1 HSDB 5501 NSC 52216
Wiley ID 1177950