![1-Bromo-5-[3-methylphenyl]pentane](/api/spectrum/AI9xr4mhBvg/structure.png?h=300&w=458 "1-Bromo-5-[3-methylphenyl]pentane")
| SpectraBase Compound ID | kezfCtbqvI |
|---|---|
| InChI | InChI=1S/C12H17Br/c1-11-6-5-8-12(10-11)7-3-2-4-9-13/h5-6,8,10H,2-4,7,9H2,1H3 |
| InChIKey | BNUICUYWPUIMFB-UHFFFAOYSA-N |
| Mol Weight | 241.17 g/mol |
| Molecular Formula | C12H17Br |
| Exact Mass | 240.051364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AI9xr4mhBvg |
|---|---|
| Name | 1-Bromo-5-[3-methylphenyl]pentane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.051363547 u |
| Formula | C12H17Br |
| InChI | InChI=1S/C12H17Br/c1-11-6-5-8-12(10-11)7-3-2-4-9-13/h5-6,8,10H,2-4,7,9H2,1H3 |
| InChIKey | BNUICUYWPUIMFB-UHFFFAOYSA-N |
| Molecular Weight | 241.172 g/mol |
| SMILES | C1=CC(=CC(=C1)CCCCCBr)C |