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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 LLfFK5NR37K
Name 2,4-Dinitrotoluene
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.032756677 u
Formula C7H6N2O4
GC Column HP-Ultra 1 (25 m x 0.2 mm, film thickness 0.11 micrometer)
GC Oven Program Oven temp 200oC
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
Inlet Type Split (1:10)
Instrument Name Shimadzu GC 17A- QP5050A MSD
Ionization Type EI
Literature Reference DOI 10.1002/jssc.200700561
Molecular Weight 182.135 g/mol
Quality 146
SMILES C1([N+](=O)[O-])=CC(=C(C=C1)C)[N+](=O)[O-]
SPLASH splash10-014r-7900000000-2e64dbdee88d22b47b9c
Source of Spectrum SEP-31-1410-2,4-DNT (DOI: 10.1002/jssc.200700561)
Wiley ID 1907978