| SpectraBase Compound ID | C8PRfSnWySo |
|---|---|
| InChI | InChI=1S/C12H17BrO/c1-2-3-9-12(14,10-13)11-7-5-4-6-8-11/h4-8,14H,2-3,9-10H2,1H3 |
| InChIKey | ZBAIJMLOUPGXOE-UHFFFAOYSA-N |
| Mol Weight | 257.17 g/mol |
| Molecular Formula | C12H17BrO |
| Exact Mass | 256.046278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5LHH1eqadHU |
|---|---|
| Name | 1-Bromo-2-phenylhexan-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.046278166 u |
| Formula | C12H17BrO |
| InChI | InChI=1S/C12H17BrO/c1-2-3-9-12(14,10-13)11-7-5-4-6-8-11/h4-8,14H,2-3,9-10H2,1H3 |
| InChIKey | ZBAIJMLOUPGXOE-UHFFFAOYSA-N |
| Molecular Weight | 257.171 g/mol |
| SMILES | C(C(CCCC)(O)C=1C=CC=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920145 |