| SpectraBase Compound ID | 3mPNiKRMrIu |
|---|---|
| InChI | InChI=1S/C10H13BrO/c1-6(2)8-4-7(3)5-9(11)10(8)12/h4-6,12H,1-3H3 |
| InChIKey | OREUQTHOJRNGJE-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 | AW4zMaogIhm |
|---|---|
| Name | 5-Bromo-4-hydroxy-m-cymene |
| 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/c1-6(2)8-4-7(3)5-9(11)10(8)12/h4-6,12H,1-3H3 |
| InChIKey | OREUQTHOJRNGJE-UHFFFAOYSA-N |
| Molecular Weight | 229.117 g/mol |
| SMILES | C1=C(C=C(C(=C1C(C)C)O)Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968014 |