| SpectraBase Spectrum ID |
28rYm6KP3Y |
| Name |
Benzene, 5-methyl-1,2,3-trinitro- |
| Alternate Name(s) |
3,4,5-Trinitrotoluene
5-Methyl-1,2,3-trinitro-benzene
Toluene, 3,4,5-trinitro-
BRN 2056922 |
| CAS Registry Number |
603-15-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H5N3O6 |
| InChI |
InChI=1S/C7H5N3O6/c1-4-2-5(8(11)12)7(10(15)16)6(3-4)9(13)14/h2-3H,1H3 |
| InChIKey |
MRVQHWLGKAVHRB-UHFFFAOYSA-N |
| Molecular Weight |
227.132 g/mol |
| SMILES |
c1(c(N(=O)=O)cc(cc1N(=O)=O)C)N(=O)=O |
| SPLASH |
splash10-0059-9010000000-97e6992b80bc45a0ae33 |
| Source of Spectrum |
O-14-586-1 |
| Wiley ID |
1228324 |
