| SpectraBase Compound ID | IGkxjtCiFfk |
|---|---|
| InChI | InChI=1S/C13H19Br/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3 |
| InChIKey | UOBHXSPRCSMLEU-UHFFFAOYSA-N |
| Mol Weight | 255.2 g/mol |
| Molecular Formula | C13H19Br |
| Exact Mass | 254.067014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8LIYbswpsNZ |
|---|---|
| Name | 3-Bromanylheptylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.067013612 u |
| Formula | C13H19Br |
| InChI | InChI=1S/C13H19Br/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3 |
| InChIKey | UOBHXSPRCSMLEU-UHFFFAOYSA-N |
| Molecular Weight | 255.199 g/mol |
| SMILES | C(C1=CC=CC=C1)CC(Br)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98503 |