| SpectraBase Spectrum ID |
8npDmcA4dL4 |
| Name |
Benzene, 1-methyl-2,4,5-trinitro- |
| Alternate Name(s) |
1-Methyl-2,4,5-trinitrobenzene
2,4,5-Trinitrotoluene
Toluene, 2,4,5-trinitro-
BRN 1992649
EINECS 210-214-8 |
| CAS Registry Number |
610-25-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H5N3O6 |
| InChI |
InChI=1S/C7H5N3O6/c1-4-2-6(9(13)14)7(10(15)16)3-5(4)8(11)12/h2-3H,1H3 |
| InChIKey |
FZJGZCSVWGKDAK-UHFFFAOYSA-N |
| Molecular Weight |
227.132 g/mol |
| SMILES |
Cc1cc(c(cc1N(=O)=O)N(=O)=O)N(=O)=O |
| SPLASH |
splash10-001i-9110000000-1d3f0538f8262394be7d |
| Source of Spectrum |
AD-0-3059-0 |
| Wiley ID |
30153 |
