| SpectraBase Compound ID | 7f0rpiQKf8 |
|---|---|
| InChI | InChI=1S/C4H4BrN/c1-4(2-5)3-6/h2H,1H3/b4-2- |
| InChIKey | VAVDVRKEPBGVMB-RQOWECAXSA-N |
| Mol Weight | 145.99 g/mol |
| Molecular Formula | C4H4BrN |
| Exact Mass | 144.952712 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AcsFcKafpxk |
|---|---|
| Name | (Z)-3-Bromanyl-2-methyl-prop-2-enenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.952712133 u |
| Formula | C4H4BrN |
| InChI | InChI=1S/C4H4BrN/c1-4(2-5)3-6/h2H,1H3/b4-2- |
| InChIKey | VAVDVRKEPBGVMB-RQOWECAXSA-N |
| SMILES | C(#N)\C(=C/Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881553 |