| SpectraBase Compound ID | 3CM48X6jaiR |
|---|---|
| InChI | InChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/q+2;;/p-2 |
| InChIKey | ODPOAESBSUKMHD-UHFFFAOYSA-L |
| Mol Weight | 344.05 g/mol |
| Molecular Formula | C12H12Br2N2 |
| Exact Mass | 341.936724 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KIBdFrjboHj |
|---|---|
| Name | Diquat |
| CAS Registry Number | 85-00-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H12Br2N2 |
| InChI | InChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/q+2;;/p-2 |
| InChIKey | ODPOAESBSUKMHD-UHFFFAOYSA-L |
| Molecular Weight | 344.050 g/mol |
| SMILES | [Br-].c1cc[n+]2CC[n+]3ccccc3-c2c1.[Br-] |
| SPLASH | splash10-0002-9100000000-80a026841a19b2b83e9b |
| Source of Spectrum | IC-981-0-0 |
| Wiley ID | 1336196 |