| SpectraBase Compound ID | gpDhBDJmmi |
|---|---|
| InChI | InChI=1S/C12H17BrO/c13-10-4-2-1-3-5-11-6-8-12(14)9-7-11/h6-9,14H,1-5,10H2 |
| InChIKey | YDCHLTHSRJZOLW-UHFFFAOYSA-N |
| Mol Weight | 257.17 g/mol |
| Molecular Formula | C12H17BrO |
| Exact Mass | 256.046278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5DC2sY7HaZu |
|---|---|
| Name | 4-(6-Bromanylhexyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.046278166 u |
| Formula | C12H17BrO |
| InChI | InChI=1S/C12H17BrO/c13-10-4-2-1-3-5-11-6-8-12(14)9-7-11/h6-9,14H,1-5,10H2 |
| InChIKey | YDCHLTHSRJZOLW-UHFFFAOYSA-N |
| Molecular Weight | 257.171 g/mol |
| SMILES | C1(=CC=C(C=C1)CCCCCCBr)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932281 |