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2,4,6-Trinitrotoluene

View entire compound with spectra: 12 NMR, 1 FTIR, and 11 MS (GC)

2,4,6-Trinitrotoluene
SpectraBase Compound ID 3eF4ZueyGup
InChI InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
InChIKey SPSSULHKWOKEEL-UHFFFAOYSA-N
Mol Weight 227.13 g/mol
Molecular Formula C7H5N3O6
Exact Mass 227.017835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F2Ol0OFsnK9
Name 2,4,6-TRINITROTOLUENE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H5N3O6
InChI InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
InChIKey SPSSULHKWOKEEL-UHFFFAOYSA-N
Literature Reference Author A.LYCKA,V.MACHACEK,J.JIRMAN
Literature Reference Citation COLL.CZ.CH.COMM.,52,2946(1987)
Literature Reference DOI 10.1135/cccc19872946
Molecular Weight 227.133 g/mol
Solvent DMSO-D6
Source File Reference UWCS4861