| SpectraBase Compound ID | HnWnbxPs6uV |
|---|---|
| InChI | InChI=1S/C13H19BrO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,13,15H,2-6H2,1H3 |
| InChIKey | QHNQWSSQTIPFMV-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 | H4NrEDxpaH8 |
|---|---|
| Name | Benzenemethanol, 4-bromo-.alpha.-hexyl- |
| 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/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,13,15H,2-6H2,1H3 |
| InChIKey | QHNQWSSQTIPFMV-UHFFFAOYSA-N |
| SMILES | CCCCCCC(O)C1=CC=C(Br)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902715 |