| SpectraBase Compound ID | CwsWiFMWM9Z |
|---|---|
| InChI | InChI=1S/C12H17Br/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h6-9H,2-5,10H2,1H3 |
| InChIKey | KQYYGIARMUPJIJ-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 | 7ZgVXp83DJN |
|---|---|
| Name | 1-(Bromomethyl)-4-pentyl-benzene |
| 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/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h6-9H,2-5,10H2,1H3 |
| InChIKey | KQYYGIARMUPJIJ-UHFFFAOYSA-N |
| Molecular Weight | 241.172 g/mol |
| SMILES | C(C=1C=CC(=CC1)CCCCC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.828769 |