| SpectraBase Compound ID | 2UpGI5d6CSU |
|---|---|
| InChI | InChI=1S/C10H13BrO2/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5,12-13H,1-3H3 |
| InChIKey | XGWHVLKOISKVLR-UHFFFAOYSA-N |
| Mol Weight | 245.12 g/mol |
| Molecular Formula | C10H13BrO2 |
| Exact Mass | 244.009893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1qQmktSynWM |
|---|---|
| Name | 3-Bromo-5-tert-butylbenzene-1,2-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.009892657 u |
| Formula | C10H13BrO2 |
| InChI | InChI=1S/C10H13BrO2/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5,12-13H,1-3H3 |
| InChIKey | XGWHVLKOISKVLR-UHFFFAOYSA-N |
| Molecular Weight | 245.116 g/mol |
| SMILES | C1(=CC(=C(C(=C1)Br)O)O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880501 |