| SpectraBase Compound ID | L5YANMsiM37 |
|---|---|
| InChI | InChI=1S/C12H11N2.HI/c1-10-8-11-4-2-3-5-12(11)9-14(10)7-6-13;/h2-5,8-9H,7H2,1H3;1H/q+1;/p-1 |
| InChIKey | XEODMCJOAUFILZ-UHFFFAOYSA-M |
| Mol Weight | 310.14 g/mol |
| Molecular Formula | C12H11IN2 |
| Exact Mass | 309.996693 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GObJyFzefO2 |
|---|---|
| Name | 2-(Cyanomethyl)-3-methylisoquinolinium iodide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H11IN2 |
| InChI | InChI=1S/C12H11N2.HI/c1-10-8-11-4-2-3-5-12(11)9-14(10)7-6-13;/h2-5,8-9H,7H2,1H3;1H/q+1;/p-1 |
| InChIKey | XEODMCJOAUFILZ-UHFFFAOYSA-M |
| Molecular Weight | 310.138 g/mol |
| SMILES | [I-].c1[n+](c(cc2ccccc12)C)CC#N |
| SPLASH | splash10-00mo-1900000000-57e9b83009505b748aef |
| Source of Spectrum | F-68-5500-3 |
| Wiley ID | 1717537 |