| SpectraBase Compound ID | 1uKdI3pTcgm |
|---|---|
| InChI | InChI=1S/C21H16O/c22-20-15-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)19-14-8-7-13-18(19)20/h1-14H,15H2 |
| InChIKey | SOXFTCCVYBFENS-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 | 5A72FjUhquC |
|---|---|
| Name | 3,3-Diphenyl-1-indanone |
| 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/c22-20-15-21(16-9-3-1-4-10-16,17-11-5-2-6-12-17)19-14-8-7-13-18(19)20/h1-14H,15H2 |
| InChIKey | SOXFTCCVYBFENS-UHFFFAOYSA-N |
| SMILES | C1C(C2=CC=CC=C2C1=O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90276 |