| SpectraBase Compound ID | 2yDDxzquQxY |
|---|---|
| InChI | InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3/i2D,3D |
| InChIKey | SPSSULHKWOKEEL-PBNXXWCMSA-N |
| Mol Weight | 229.14 g/mol |
| Molecular Formula | C7H32D2N3O6 |
| Exact Mass | 229.030388 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ENXxqJXFIhR |
|---|---|
| Name | 2,4,6-Trinitro-3,5-dideuteriotoluene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H3D2N3O6 |
| InChI | InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3/i2D,3D |
| InChIKey | SPSSULHKWOKEEL-PBNXXWCMSA-N |
| Molecular Weight | 229.144 g/mol |
| SMILES | c1(N(=O)=O)c(c(N(=O)=O)c(c(N(=O)=O)c1[2D])[2D])C |
| SPLASH | splash10-03fr-9740000000-d6c655fe508c15802711 |
| Source of Spectrum | O-26-868-2 |
| Wiley ID | 1228327 |