![2-[2-Bromanyl-3-(cyanomethyl)phenyl]ethanenitrile](/api/spectrum/8cTQGqFt8VA/structure.png?h=300&w=458 "2-[2-Bromanyl-3-(cyanomethyl)phenyl]ethanenitrile")
| SpectraBase Compound ID | Ht9vcAmK6cQ |
|---|---|
| InChI | InChI=1S/C10H7BrN2/c11-10-8(4-6-12)2-1-3-9(10)5-7-13/h1-3H,4-5H2 |
| InChIKey | BOPUVURABONJSQ-UHFFFAOYSA-N |
| Mol Weight | 235.08 g/mol |
| Molecular Formula | C10H7BrN2 |
| Exact Mass | 233.979261 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8cTQGqFt8VA |
|---|---|
| Name | 2-[2-Bromanyl-3-(cyanomethyl)phenyl]ethanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.979261233 u |
| Formula | C10H7BrN2 |
| InChI | InChI=1S/C10H7BrN2/c11-10-8(4-6-12)2-1-3-9(10)5-7-13/h1-3H,4-5H2 |
| InChIKey | BOPUVURABONJSQ-UHFFFAOYSA-N |
| Molecular Weight | 235.084 g/mol |
| SMILES | C(#N)CC1=C(C(CC#N)=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.824508 |