| SpectraBase Compound ID | 9taLRcRhTO7 |
|---|---|
| InChI | InChI=1S/C7H13BrO2/c1-7(2,4-5-8)6(9)10-3/h4-5H2,1-3H3 |
| InChIKey | LSEMRAPWMAYTFA-UHFFFAOYSA-N |
| Mol Weight | 209.08 g/mol |
| Molecular Formula | C7H13BrO2 |
| Exact Mass | 208.009893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GkmHiaWcUh0 |
|---|---|
| Name | Methyl 4-bromo-2,2-dimethylbutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.009892657 u |
| Formula | C7H13BrO2 |
| InChI | InChI=1S/C7H13BrO2/c1-7(2,4-5-8)6(9)10-3/h4-5H2,1-3H3 |
| InChIKey | LSEMRAPWMAYTFA-UHFFFAOYSA-N |
| Molecular Weight | 209.083 g/mol |
| SMILES | C(C(CCBr)(C)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962028 |