| SpectraBase Compound ID | 7VmZUiTC69j |
|---|---|
| InChI | InChI=1S/C16H14O/c17-15-11-16(12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey | GUAXWQNIMQCVIV-UHFFFAOYSA-N |
| Mol Weight | 222.29 g/mol |
| Molecular Formula | C16H14O |
| Exact Mass | 222.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DGDyeMJRNvA |
|---|---|
| Name | 3,3-Diphenylcyclobutanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.104465070 u |
| Formula | C16H14O |
| InChI | InChI=1S/C16H14O/c17-15-11-16(12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey | GUAXWQNIMQCVIV-UHFFFAOYSA-N |
| Molecular Weight | 222.287 g/mol |
| SMILES | C1(CC(C1)=O)(C1=CC=CC=C1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917832 |