| SpectraBase Compound ID | 6oFi5ygLeb3 |
|---|---|
| InChI | InChI=1S/C8H15BrO/c1-5-7(9)6-10-8(2,3)4/h5,7H,1,6H2,2-4H3 |
| InChIKey | PTOQCXKZJBSIBX-UHFFFAOYSA-N |
| Mol Weight | 207.11 g/mol |
| Molecular Formula | C8H15BrO |
| Exact Mass | 206.030628 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3DYotaj4cnW |
|---|---|
| Name | 3-Bromo-4-tert-butoxybut-1-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.030628102 u |
| Formula | C8H15BrO |
| InChI | InChI=1S/C8H15BrO/c1-5-7(9)6-10-8(2,3)4/h5,7H,1,6H2,2-4H3 |
| InChIKey | PTOQCXKZJBSIBX-UHFFFAOYSA-N |
| Molecular Weight | 207.111 g/mol |
| SMILES | C=CC(COC(C)(C)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959356 |