| SpectraBase Compound ID | 8WUYUZoVlnX |
|---|---|
| InChI | InChI=1S/C11H8BrN2.HI/c12-11-8-14(6-5-13)7-9-3-1-2-4-10(9)11;/h1-4,7-8H,6H2;1H/q+1;/p-1 |
| InChIKey | TWGQJRKPVBSKRQ-UHFFFAOYSA-M |
| Mol Weight | 375.01 g/mol |
| Molecular Formula | C11H8BrIN2 |
| Exact Mass | 373.891556 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9nmfoQ841hz |
|---|---|
| Name | 4-Bromo-2-(cyanomethyl)isoquinolinium iodide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H8BrIN2 |
| InChI | InChI=1S/C11H8BrN2.HI/c12-11-8-14(6-5-13)7-9-3-1-2-4-10(9)11;/h1-4,7-8H,6H2;1H/q+1;/p-1 |
| InChIKey | TWGQJRKPVBSKRQ-UHFFFAOYSA-M |
| Molecular Weight | 375.007 g/mol |
| SMILES | [I-].c1[n+](cc(c2ccccc12)Br)CC#N |
| SPLASH | splash10-0a4i-1390000000-4893b27eedcbdd46c4ae |
| Source of Spectrum | F-68-5500-2 |
| Wiley ID | 1717539 |