| SpectraBase Compound ID | FixYqK41vMl |
|---|---|
| InChI | InChI=1S/C21H16O/c22-21(19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H |
| InChIKey | PTKAYCBILQSQRK-UHFFFAOYSA-N |
| Mol Weight | 284.36 g/mol |
| Molecular Formula | C21H16O |
| Exact Mass | 284.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CvyObsXvBzX |
|---|---|
| Name | Acrylophenone, 3,3-diphenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.120115134 u |
| Formula | C21H16O |
| InChI | InChI=1S/C21H16O/c22-21(19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H |
| InChIKey | PTKAYCBILQSQRK-UHFFFAOYSA-N |
| SMILES | C1=CC(C(=CC(C2=CC=CC=C2)=O)C2=CC=CC=C2)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80494 |