| SpectraBase Compound ID | EJmbLQb3Nzw |
|---|---|
| InChI | InChI=1S/C12H13BrO/c13-10-6-2-5-9-12(14)11-7-3-1-4-8-11/h1,3-4,6-8,10H,2,5,9H2/b10-6+ |
| InChIKey | NDSJMERQSGGALB-UXBLZVDNSA-N |
| Mol Weight | 253.14 g/mol |
| Molecular Formula | C12H13BrO |
| Exact Mass | 252.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Er0tWZkcPNW |
|---|---|
| Name | 6-Bromo-1-phenyl-5-hexen-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.014978038 u |
| Formula | C12H13BrO |
| InChI | InChI=1S/C12H13BrO/c13-10-6-2-5-9-12(14)11-7-3-1-4-8-11/h1,3-4,6-8,10H,2,5,9H2/b10-6+ |
| InChIKey | NDSJMERQSGGALB-UXBLZVDNSA-N |
| Molecular Weight | 253.139 g/mol |
| SMILES | C(CCC\C=C\Br)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955063 |