| SpectraBase Compound ID | JLwW7iTFULz |
|---|---|
| InChI | InChI=1S/C13H19BrO/c1-10(2)8-11-4-6-12(7-5-11)13(3,15)9-14/h4-7,10,15H,8-9H2,1-3H3 |
| InChIKey | FBEBLJHWAYIZTR-UHFFFAOYSA-N |
| Mol Weight | 271.2 g/mol |
| Molecular Formula | C13H19BrO |
| Exact Mass | 270.061928 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Z2uSMNQgIi |
|---|---|
| Name | 1-Bromo-2-(4-isobutylphenyl)propan-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.061928231 u |
| Formula | C13H19BrO |
| InChI | InChI=1S/C13H19BrO/c1-10(2)8-11-4-6-12(7-5-11)13(3,15)9-14/h4-7,10,15H,8-9H2,1-3H3 |
| InChIKey | FBEBLJHWAYIZTR-UHFFFAOYSA-N |
| SMILES | C(C(C)(O)C=1C=CC(=CC1)CC(C)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.803744 |