| SpectraBase Compound ID | 1Ryy43FfFFU |
|---|---|
| InChI | InChI=1S/C15H13BrO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2 |
| InChIKey | AKQSTOHWSLTIIU-UHFFFAOYSA-N |
| Mol Weight | 289.17 g/mol |
| Molecular Formula | C15H13BrO |
| Exact Mass | 288.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | INDd8fYbIPu |
|---|---|
| Name | 1-(4-Bromophenyl)-3-phenyl-1-propanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.014978038 u |
| Formula | C15H13BrO |
| InChI | InChI=1S/C15H13BrO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2 |
| InChIKey | AKQSTOHWSLTIIU-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C=C1)Br)(=O)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891841 |