| SpectraBase Compound ID | 2vGzKuzttB8 |
|---|---|
| InChI | InChI=1S/C9H19Br/c1-8(5-6-10)7-9(2,3)4/h8H,5-7H2,1-4H3 |
| InChIKey | JUHBYLSCAJAHEH-UHFFFAOYSA-N |
| Mol Weight | 207.15 g/mol |
| Molecular Formula | C9H19Br |
| Exact Mass | 206.067014 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ajs25L5bnqu |
|---|---|
| Name | 1-Bromo-3,5,5-trimethylhexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.067013612 u |
| Formula | C9H19Br |
| InChI | InChI=1S/C9H19Br/c1-8(5-6-10)7-9(2,3)4/h8H,5-7H2,1-4H3 |
| InChIKey | JUHBYLSCAJAHEH-UHFFFAOYSA-N |
| Molecular Weight | 207.155 g/mol |
| SMILES | CC(CC(C)CCBr)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.993748 |