![1-Bromo-5-[4-methylphenyl]pentane](/api/spectrum/8x2egabiwxc/structure.png?h=300&w=458 "1-Bromo-5-[4-methylphenyl]pentane")
| SpectraBase Compound ID | IhmP85eR8yq |
|---|---|
| InChI | InChI=1S/C12H17Br/c1-11-6-8-12(9-7-11)5-3-2-4-10-13/h6-9H,2-5,10H2,1H3 |
| InChIKey | KPYKVFYFOVAKSG-UHFFFAOYSA-N |
| Mol Weight | 241.17 g/mol |
| Molecular Formula | C12H17Br |
| Exact Mass | 240.051364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8x2egabiwxc |
|---|---|
| Name | 1-Bromo-5-[4-methylphenyl]pentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.051363547 u |
| Formula | C12H17Br |
| InChI | InChI=1S/C12H17Br/c1-11-6-8-12(9-7-11)5-3-2-4-10-13/h6-9H,2-5,10H2,1H3 |
| InChIKey | KPYKVFYFOVAKSG-UHFFFAOYSA-N |
| Molecular Weight | 241.172 g/mol |
| SMILES | C1(=CC=C(C=C1)C)CCCCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953632 |