| SpectraBase Compound ID | H4MV0OS3Ryv |
|---|---|
| InChI | InChI=1S/C7H10BrNO2/c1-2-3-4-11-7(10)6(8)5-9/h6H,2-4H2,1H3 |
| InChIKey | VNBSBMCRGUYYPE-UHFFFAOYSA-N |
| Mol Weight | 220.07 g/mol |
| Molecular Formula | C7H10BrNO2 |
| Exact Mass | 218.989492 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 67LT60NwofM |
|---|---|
| Name | Butyl bromocyanoacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.989491564 u |
| Formula | C7H10BrNO2 |
| InChI | InChI=1S/C7H10BrNO2/c1-2-3-4-11-7(10)6(8)5-9/h6H,2-4H2,1H3 |
| InChIKey | VNBSBMCRGUYYPE-UHFFFAOYSA-N |
| Molecular Weight | 220.066 g/mol |
| SMILES | C(C(C#N)Br)(=O)OCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854751 |