| SpectraBase Spectrum ID |
4c8hB47t7A |
| Name |
2,4,6-Trinitrotoluene |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
227.017834887 u |
| Formula |
C7H5N3O6 |
| 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/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 |
| Inlet Type |
Split (1:10) |
| Instrument Name |
Shimadzu GC 17A- QP5050A MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jssc.200700561 |
| Molecular Weight |
227.132 g/mol |
| Quality |
161 |
| SMILES |
C1([N+](=O)[O-])=CC(=CC(=C1C)[N+](=O)[O-])[N+](=O)[O-] |
| SPLASH |
splash10-03dr-9060000000-1c0626a145b6af8b4dd2 |
| Source of Spectrum |
SEP-31-1410-TNT (DOI: 10.1002/jssc.200700561) |
| Wiley ID |
1907984 |
