| SpectraBase Compound ID | BSvKnwdmQ3Z |
|---|---|
| InChI | InChI=1S/C4H4BrNO2/c1-8-4(7)3(5)2-6/h3H,1H3 |
| InChIKey | ARPGZMIRSBUKBU-UHFFFAOYSA-N |
| Mol Weight | 177.98 g/mol |
| Molecular Formula | C4H4BrNO2 |
| Exact Mass | 176.942541 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J6OcPc38GOj |
|---|---|
| Name | 2-Bromo-2-cyano-acetic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.942541371 u |
| Formula | C4H4BrNO2 |
| InChI | InChI=1S/C4H4BrNO2/c1-8-4(7)3(5)2-6/h3H,1H3 |
| InChIKey | ARPGZMIRSBUKBU-UHFFFAOYSA-N |
| Molecular Weight | 177.985 g/mol |
| SMILES | C(C(C#N)Br)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959247 |