| SpectraBase Compound ID | 8YETuwBkST3 |
|---|---|
| InChI | InChI=1S/C9H19Br/c1-8(2)5-4-6-9(3)7-10/h8-9H,4-7H2,1-3H3 |
| InChIKey | PELJZECKXOURIR-UHFFFAOYSA-N |
| Mol Weight | 207.15 g/mol |
| Molecular Formula | C9H19Br |
| Exact Mass | 206.067014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JJoviFIA4Tk |
|---|---|
| Name | Heptane, 1-bromo-2,6-dimethyl- |
| 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(2)5-4-6-9(3)7-10/h8-9H,4-7H2,1-3H3 |
| InChIKey | PELJZECKXOURIR-UHFFFAOYSA-N |
| Molecular Weight | 207.155 g/mol |
| SMILES | CC(C)CCCC(C)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935872 |