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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtDh7dOyKrz
Name Benzene, 2-methyl-1,3,5-trinitro-
CAS Registry Number 118-96-7
Comments Less than 3 mono-isotopic peaks
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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
Molecular Weight 227.132 g/mol
SMILES c1(N(=O)=O)c(C)c(N(=O)=O)cc(c1)N(=O)=O
SPLASH splash10-03di-0090000000-aadbac75dbff59588324
Source of Spectrum JC-518-31-0
Synonyms .alpha.-TNT 1-Methyl-2,4,6-trinitrobenzene 2,4,6-TNT 2,4,6-Trinitrotolueen 2,4,6-Trinitrotoluene 2,4,6-Trinitrotoluol 2-methyl-1,3,5-trinitro-benzene Gradetol s-Trinitrotoluene s-Trinitrotoluol sym-Trinitrotoluene sym-Trinitrotoluol TNT TNT-tolite TOLIT Tolite Toluene, 2,4,6-trinitro- Trinitrotoluene Trinitrotoluene, dry Trinitrotoluene, wet Tritol Tritol (explosive) Trojnitrotoluen Trotyl Trotyl oil CCRIS 1299 EINECS 204-289-6 HSDB 1146 NCI-C56155 NSC 36949 UN0209 UN1356
Wiley ID 1228323