| SpectraBase Compound ID | A4weo5SOgMH |
|---|---|
| InChI | InChI=1S/C6H11BrO/c1-6(2,3)8-5-4-7/h4-5H,1-3H3/b5-4- |
| InChIKey | CEQNODPMWRNQOG-PLNGDYQASA-N |
| Mol Weight | 179.06 g/mol |
| Molecular Formula | C6H11BrO |
| Exact Mass | 177.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CiqvNFpXM1U |
|---|---|
| Name | (Z)-1-Bromo-2-tert-butoxyethene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.999327973 u |
| Formula | C6H11BrO |
| InChI | InChI=1S/C6H11BrO/c1-6(2,3)8-5-4-7/h4-5H,1-3H3/b5-4- |
| InChIKey | CEQNODPMWRNQOG-PLNGDYQASA-N |
| Molecular Weight | 179.057 g/mol |
| SMILES | C(O\C=C/Br)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941405 |