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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 8FH8iMjvljM
Name 2,4-Dinitrotoluene
CAS Registry Number 121-14-2
Classification Explosive
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 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 Type Electron Ionization (EI)
Molecular Weight 182.135 g/mol
Nominal Mass 182 u
Quality 945
Retention Index 1439
SMILES C1(=C(C=CC(=C1)[N+](=O)[O-])C)[N+](=O)[O-]
SPLASH splash10-014i-8900000000-d34e189e5e4ea9e64147
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,4-DNT 1-Methyl-2,4-dinitrobenzene
Technique GC/MS
Wiley ID DD2024_013793