| SpectraBase Compound ID | 2cw6MOnBZ8 |
|---|---|
| InChI | InChI=1S/C5H6BrNO2/c1-2-9-5(8)4(6)3-7/h4H,2H2,1H3 |
| InChIKey | QFGBTDLJOFKSQL-UHFFFAOYSA-N |
| Mol Weight | 192.01 g/mol |
| Molecular Formula | C5H6BrNO2 |
| Exact Mass | 190.958191 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 24Qws0LPFod |
|---|---|
| Name | Ethyl bromocyanoacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.958191435 u |
| Formula | C5H6BrNO2 |
| InChI | InChI=1S/C5H6BrNO2/c1-2-9-5(8)4(6)3-7/h4H,2H2,1H3 |
| InChIKey | QFGBTDLJOFKSQL-UHFFFAOYSA-N |
| Molecular Weight | 192.012 g/mol |
| SMILES | CCOC(=O)C(Br)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938581 |