| SpectraBase Compound ID | 696EgNJibeT |
|---|---|
| InChI | InChI=1S/C11H13BrO/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-7,11,13H,1-2H3 |
| InChIKey | UZYJCXAQOIDVCA-UHFFFAOYSA-N |
| Mol Weight | 241.13 g/mol |
| Molecular Formula | C11H13BrO |
| Exact Mass | 240.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IS6VpDA4LX8 |
|---|---|
| Name | 2-Buten-1-ol, 2-bromo-3-methyl-1-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.014978038 u |
| Formula | C11H13BrO |
| InChI | InChI=1S/C11H13BrO/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-7,11,13H,1-2H3 |
| InChIKey | UZYJCXAQOIDVCA-UHFFFAOYSA-N |
| Molecular Weight | 241.128 g/mol |
| SMILES | C1=CC(C(C(Br)=C(C)C)O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917068 |