| SpectraBase Spectrum ID |
KKczegu9mY6 |
| Name |
2,4,6-TRINITROTOLUOL |
| CAS Registry Number |
118-96-7 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
227.017834887 u |
| 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 |
| Nominal Mass |
227 u |
| Number of Peaks |
72 |
| SMILES |
c1c([N+]([O-])=O)cc([N+]([O-])=O)c(c1[N+]([O-])=O)C |
| SPLASH |
splash10-03di-9330000000-a2a10560f14371b8a4da |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
2-methyl-1,3,5-trinitrobenzene |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_4520 |
