| SpectraBase Compound ID | I57YgqyWkAe |
|---|---|
| InChI | InChI=1S/C11H8N2O.ClH/c12-5-7-13-6-4-10-9(8-13)2-1-3-11(10)14;/h1-4,6,8H,7H2;1H |
| InChIKey | RURUXIFRSAGYQA-UHFFFAOYSA-N |
| Mol Weight | 220.66 g/mol |
| Molecular Formula | C11H9ClN2O |
| Exact Mass | 220.040341 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2Sey2aQzzlF |
|---|---|
| Name | 2-(Cyanomethyl)-5-hydroxyisoquinolinium chloride |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H9ClN2O |
| InChI | InChI=1S/C11H8N2O.ClH/c12-5-7-13-6-4-10-9(8-13)2-1-3-11(10)14;/h1-4,6,8H,7H2;1H |
| InChIKey | RURUXIFRSAGYQA-UHFFFAOYSA-N |
| Molecular Weight | 220.659 g/mol |
| SMILES | [Cl-].Oc1c2cc[n+](cc2ccc1)CC#N |
| SPLASH | splash10-000j-2900000000-9614c117a66a2cbb3cf7 |
| Source of Spectrum | F-68-5501-5 |
| Wiley ID | 1717534 |