| SpectraBase Compound ID | BKGFJFu0st6 |
|---|---|
| InChI | InChI=1S/C6H5BrO3/c7-3-5-1-4(8)2-6(9)10-5/h1-2,8H,3H2 |
| InChIKey | JGQZQJQKRYNSQX-UHFFFAOYSA-N |
| Mol Weight | 205.01 g/mol |
| Molecular Formula | C6H5BrO3 |
| Exact Mass | 203.942207 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ETSM1I9xj4r |
|---|---|
| Name | 2H-Pyran-2-one, 6-(bromomethyl)-4-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.942207018 u |
| Formula | C6H5BrO3 |
| InChI | InChI=1S/C6H5BrO3/c7-3-5-1-4(8)2-6(9)10-5/h1-2,8H,3H2 |
| InChIKey | JGQZQJQKRYNSQX-UHFFFAOYSA-N |
| Molecular Weight | 205.007 g/mol |
| SMILES | C=1C(OC(=CC1O)CBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87633 |