| SpectraBase Compound ID | 73LPx0KtjZL |
|---|---|
| InChI | InChI=1S/C8H9BrO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6H2 |
| InChIKey | QXOPAHUDEPTDQJ-UHFFFAOYSA-N |
| Mol Weight | 201.06 g/mol |
| Molecular Formula | C8H9BrO |
| Exact Mass | 199.983678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CaKkYFXOtnd |
|---|---|
| Name | Benzeneethanol, .beta.-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.983677909 u |
| Formula | C8H9BrO |
| InChI | InChI=1S/C8H9BrO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6H2 |
| InChIKey | QXOPAHUDEPTDQJ-UHFFFAOYSA-N |
| Molecular Weight | 201.063 g/mol |
| SMILES | C(C(Br)C1=CC=CC=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946836 |