| SpectraBase Compound ID | AoyT3kBlpRh |
|---|---|
| InChI | InChI=1S/C11H15BrO/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8H,2-4,9H2,1H3 |
| InChIKey | ILLQRHZDICIFRQ-UHFFFAOYSA-N |
| Mol Weight | 243.14 g/mol |
| Molecular Formula | C11H15BrO |
| Exact Mass | 242.030628 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JIVotoFwuo7 |
|---|---|
| Name | 4-Bromophenol, N-pentyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.030628102 u |
| Formula | C11H15BrO |
| InChI | InChI=1S/C11H15BrO/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8H,2-4,9H2,1H3 |
| InChIKey | ILLQRHZDICIFRQ-UHFFFAOYSA-N |
| Molecular Weight | 243.144 g/mol |
| SMILES | C1=CC(=CC=C1OCCCCC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948895 |