| SpectraBase Compound ID | 62YoM3FTKRE |
|---|---|
| InChI | InChI=1S/C16H16O/c1-2-15(13-9-5-3-6-10-13)16(17)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3 |
| InChIKey | UHKJKVIZTFFFSB-UHFFFAOYSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C16H16O |
| Exact Mass | 224.120115 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EbtHGo1r670 |
|---|---|
| Name | 2-Phenylbutyrophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.120115134 u |
| Formula | C16H16O |
| InChI | InChI=1S/C16H16O/c1-2-15(13-9-5-3-6-10-13)16(17)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3 |
| InChIKey | UHKJKVIZTFFFSB-UHFFFAOYSA-N |
| Molecular Weight | 224.303 g/mol |
| SMILES | C1=C(C(C(CC)C=2C=CC=CC2)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.970531 |