| SpectraBase Compound ID | 6oyuQtx7Ekx |
|---|---|
| InChI | InChI=1S/C11H12BrClO/c1-8(12)6-11(14)7-9-2-4-10(13)5-3-9/h2-5,11,14H,1,6-7H2 |
| InChIKey | HNQYOTHZZXCCOY-UHFFFAOYSA-N |
| Mol Weight | 275.57 g/mol |
| Molecular Formula | C11H12BrClO |
| Exact Mass | 273.976006 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bu1OPkH5Llu |
|---|---|
| Name | 4-Bromo-1-(4-chlorophenyl)pent-4-en-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.976005705 u |
| Formula | C11H12BrClO |
| InChI | InChI=1S/C11H12BrClO/c1-8(12)6-11(14)7-9-2-4-10(13)5-3-9/h2-5,11,14H,1,6-7H2 |
| InChIKey | HNQYOTHZZXCCOY-UHFFFAOYSA-N |
| SMILES | C=1C=C(CC(CC(=C)Br)O)C=CC1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872693 |