| SpectraBase Compound ID | F9NlYkURTRF |
|---|---|
| InChI | InChI=1S/C10H7BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2 |
| InChIKey | QPEAZVAMEMXQHF-UHFFFAOYSA-N |
| Mol Weight | 235.08 g/mol |
| Molecular Formula | C10H7BrN2 |
| Exact Mass | 233.979261 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9QUf5YcOHRL |
|---|---|
| Name | (5-Bromo-1H-indol-3-yl)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.979261233 u |
| Formula | C10H7BrN2 |
| InChI | InChI=1S/C10H7BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2 |
| InChIKey | QPEAZVAMEMXQHF-UHFFFAOYSA-N |
| Molecular Weight | 235.084 g/mol |
| SMILES | C1(Br)=CC2=C(NC=C2CC#N)C=C1 |