| SpectraBase Compound ID | 7sb03MZhBIn |
|---|---|
| InChI | InChI=1S/C6H2ClN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H |
| InChIKey | HJRJRUMKQCMYDL-UHFFFAOYSA-N |
| Mol Weight | 247.55 g/mol |
| Molecular Formula | C6H2ClN3O6 |
| Exact Mass | 246.963212 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 7HzKUtTsJj9 |
|---|---|
| Name | 1-CHLORO-2,4,6-TRINITROBENZENE |
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| CAS Registry Number | 88-88-0 |
| Copyright | Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H2ClN3O6 |
| InChI | InChI=1S/C6H2ClN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H |
| InChIKey | HJRJRUMKQCMYDL-UHFFFAOYSA-N |
| Instrument Name | BRUKER AC-300 |
| Melting Point | 82C |
| Molecular Weight | 247.55 |
| Solvent | CDCl3; Reference=TMS; Temperature 297K |