| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42zjBLKjyG5 |
|---|---|
| Name | 2,4,6-TRINITROTOLUENE;92-050 |
| Compound Number | 129 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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 |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 227.133 g/mol |
| Sample ID | 3516 |
| Solvent | DMSO-D6 |