| SpectraBase Compound ID | khJYSIAQag |
|---|---|
| InChI | InChI=1S/C9H19Br/c1-3-4-5-6-7-9(2)8-10/h9H,3-8H2,1-2H3 |
| InChIKey | XHYRIXNUUUUPAL-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 | BYfpFfVvrhe |
|---|---|
| Name | 1-Bromo-2-methyloctane; octane, 1-bromo-2-methyl- |
| 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/c1-3-4-5-6-7-9(2)8-10/h9H,3-8H2,1-2H3 |
| InChIKey | XHYRIXNUUUUPAL-UHFFFAOYSA-N |
| Molecular Weight | 207.155 g/mol |
| SMILES | C(C(CCCCCC)C)Br |
| Spectrum/Structure Validation Score (Raman) | 0.995726 |