| 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)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1BC26637rCJ |
|---|---|
| Name | Benzene, 2-methyl-1,3,5-trinitro- |
| CAS Registry Number | 118-96-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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 |
| 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-9880000000-eccefd5b0c4f51cb85be |
| Source of Spectrum | O-26-868-1 |
| 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 | 1228321 |