| SpectraBase Compound ID | zNbAomj8PC |
|---|---|
| InChI | InChI=1S/C7H11BrO2/c1-4-10-7(9)5(2)6(3)8/h5H,3-4H2,1-2H3 |
| InChIKey | FGZUJNXBFQHOOW-UHFFFAOYSA-N |
| Mol Weight | 207.07 g/mol |
| Molecular Formula | C7H11BrO2 |
| Exact Mass | 205.994243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1zOnSCh6Vns |
|---|---|
| Name | Ethyl 2-methyl-3-bromo-3-butenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.994242592 u |
| Formula | C7H11BrO2 |
| InChI | InChI=1S/C7H11BrO2/c1-4-10-7(9)5(2)6(3)8/h5H,3-4H2,1-2H3 |
| InChIKey | FGZUJNXBFQHOOW-UHFFFAOYSA-N |
| Molecular Weight | 207.067 g/mol |
| SMILES | C(C(=O)OCC)(C(=C)Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981123 |