| SpectraBase Compound ID | Eaw3uVLNOtr |
|---|---|
| InChI | InChI=1S/C5H8BrN/c1-5(6)3-2-4-7/h5H,2-3H2,1H3 |
| InChIKey | HCHUIWDKAUWPJE-UHFFFAOYSA-N |
| Mol Weight | 162.03 g/mol |
| Molecular Formula | C5H8BrN |
| Exact Mass | 160.984012 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 50jah2Ls4f7 |
|---|---|
| Name | 4-Bromovaleronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.984012262 u |
| Formula | C5H8BrN |
| InChI | InChI=1S/C5H8BrN/c1-5(6)3-2-4-7/h5H,2-3H2,1H3 |
| InChIKey | HCHUIWDKAUWPJE-UHFFFAOYSA-N |
| Molecular Weight | 162.030 g/mol |
| SMILES | C(CCC(C)Br)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936125 |