| SpectraBase Compound ID | 6bvfpJTRgxU |
|---|---|
| InChI | InChI=1S/C6H13Br/c1-3-4-6(2)5-7/h6H,3-5H2,1-2H3 |
| InChIKey | GSYMWZIKZUHBKV-UHFFFAOYSA-N |
| Mol Weight | 165.07 g/mol |
| Molecular Formula | C6H13Br |
| Exact Mass | 164.020063 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2qxsdZEJCMl |
|---|---|
| Name | 1-Bromo-2-methylpentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.020063419 u |
| Formula | C6H13Br |
| InChI | InChI=1S/C6H13Br/c1-3-4-6(2)5-7/h6H,3-5H2,1-2H3 |
| InChIKey | GSYMWZIKZUHBKV-UHFFFAOYSA-N |
| Molecular Weight | 165.074 g/mol |
| SMILES | C(C(CCC)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949102 |