| SpectraBase Compound ID | Pq2IvGA2Ta |
|---|---|
| InChI | InChI=1S/C10H13BrO/c1-8(2)7-12-10-5-3-9(11)4-6-10/h3-6,8H,7H2,1-2H3 |
| InChIKey | FMAIALVMJJUXSB-UHFFFAOYSA-N |
| Mol Weight | 229.12 g/mol |
| Molecular Formula | C10H13BrO |
| Exact Mass | 228.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B1Gp7L30umJ |
|---|---|
| Name | 4-Bromophenol, 2-methylpropyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.014978038 u |
| Formula | C10H13BrO |
| InChI | InChI=1S/C10H13BrO/c1-8(2)7-12-10-5-3-9(11)4-6-10/h3-6,8H,7H2,1-2H3 |
| InChIKey | FMAIALVMJJUXSB-UHFFFAOYSA-N |
| Molecular Weight | 229.117 g/mol |
| SMILES | C1=CC(=CC=C1OCC(C)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937333 |