| SpectraBase Compound ID | HJMC9YnieQ1 |
|---|---|
| InChI | InChI=1S/C13H13N3/c14-7-5-12-13-10(6-8-15-12)9-3-1-2-4-11(9)16-13/h1-4,12,15-16H,5-6,8H2 |
| InChIKey | KAVABAFYFMASSG-UHFFFAOYSA-N |
| Mol Weight | 211.27 g/mol |
| Molecular Formula | C13H13N3 |
| Exact Mass | 211.110947 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 72cPF2U3dJD |
|---|---|
| Name | 2-(2,3,4,9-Tetrahydro-1H-$B-carbolin-1-yl)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.110947431 u |
| Formula | C13H13N3 |
| InChI | InChI=1S/C13H13N3/c14-7-5-12-13-10(6-8-15-12)9-3-1-2-4-11(9)16-13/h1-4,12,15-16H,5-6,8H2 |
| InChIKey | KAVABAFYFMASSG-UHFFFAOYSA-N |
| Molecular Weight | 211.268 g/mol |
| SMILES | C1(NCCC=2C=3C=CC=CC3NC12)CC#N |