| SpectraBase Compound ID | KTpD1eMOv8K |
|---|---|
| InChI | InChI=1S/C13H5N3O8/c17-12-8-3-6(14(18)19)1-2-11(8)24-13-9(12)4-7(15(20)21)5-10(13)16(22)23/h1-5H |
| InChIKey | GRKGPRVKUQAYIM-UHFFFAOYSA-N |
| Mol Weight | 331.2 g/mol |
| Molecular Formula | C13H5N3O8 |
| Exact Mass | 331.007664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lu6ZeSygqn |
|---|---|
| Name | 2,4,7-TRINITROXANTHONE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H5N3O8 |
| InChI | InChI=1S/C13H5N3O8/c17-12-8-3-6(14(18)19)1-2-11(8)24-13-9(12)4-7(15(20)21)5-10(13)16(22)23/h1-5H |
| InChIKey | GRKGPRVKUQAYIM-UHFFFAOYSA-N |
| Literature Reference Author | W.IBROM,A.W.FRAHM |
| Literature Reference Citation | MAGN.RES.CHEM.,34,937(1996) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199611)34:11<937::aid-omr984>3.0.co;2-# |
| Molecular Weight | 331.198 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCP465 |
| SpectraBase Batch ID | Gdw0aXHzgio |