| SpectraBase Compound ID | 1IqBUqt4qiE |
|---|---|
| InChI | InChI=1S/C8H9BrO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3 |
| InChIKey | WMUWDPLTTLJNPE-UHFFFAOYSA-N |
| Mol Weight | 201.06 g/mol |
| Molecular Formula | C8H9BrO |
| Exact Mass | 199.983678 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KdLuNQKGb18 |
|---|---|
| Name | 4-Bromo-3,5-xylenol |
| 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/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3 |
| InChIKey | WMUWDPLTTLJNPE-UHFFFAOYSA-N |
| Molecular Weight | 201.063 g/mol |
| SMILES | OC=1C=C(C)C(=C(C1)C)Br |
| Spectrum/Structure Validation Score (Raman) | 0.972356 |