| SpectraBase Spectrum ID |
JHjNon3kbuy |
| Name |
4-Amino-2,6-dinitrotoluene |
| Classification |
TNT metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
197.043655713 u |
| Formula |
C7H7N3O4 |
| InChI |
InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3 |
| InChIKey |
KQRJATLINVYHEZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
197.150 g/mol |
| Nominal Mass |
197 u |
| Quality |
943 |
| Retention Index |
1611 |
| SMILES |
NC=1C=C(C(=C(C1)[N+](=O)[O-])C)[N+](=O)[O-] |
| SPLASH |
splash10-0f8a-6900000000-7d2d0ed301491f052511 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Methyl-3,5-dinitroaniline |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000116 |
