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2,4-Dinitrotoluene
SpectraBase Compound ID cqS8OhMqpg
InChI InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
InChIKey RMBFBMJGBANMMK-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 JH2jdxo4SZs
Name 2,4-Dinitrotoluene
CAS Registry Number 121-14-2
Classification Explosive
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 182.032756677 u
Formula C7H6N2O4
InChI InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
InChIKey RMBFBMJGBANMMK-UHFFFAOYSA-N
Ionization Energy 70 eV
Ionization Type Negative Chemical Ionization (NCI)
Molecular Weight 182.135 g/mol
Nominal Mass 182 u
Quality 0
Retention Index 1439
SMILES C1(=C(C=CC(=C1)[N+](=O)[O-])C)[N+](=O)[O-]
SPLASH splash10-001i-0900000000-2fec30395a5ea43ab014
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,4-DNT 1-Methyl-2,4-dinitrobenzene
Technique GC/MS
Wiley ID DD2024_013795