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2,6-Dinitrotoluene
SpectraBase Compound ID 799a4ueepUd
InChI InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3
InChIKey XTRDKALNCIHHNI-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 BIAQOclr3FV
Name 2,6-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/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3
InChIKey XTRDKALNCIHHNI-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=CC(=C1C)[N+](=O)[O-]
SPLASH splash10-014i-7900000000-5ff5a8ea7b4d289f8efc
Source of Spectrum SEP-31-1410-2,6-DNT (DOI: 10.1002/jssc.200700561)
Wiley ID 1907979