| SpectraBase Compound ID | KevV6IaPPog |
|---|---|
| InChI | InChI=1S/C20H22O/c1-2-3-6-15-19(17-11-7-4-8-12-17)16-20(21)18-13-9-5-10-14-18/h2,4-5,7-14,19H,1,3,6,15-16H2 |
| InChIKey | MILPXXCJGWIGRM-UHFFFAOYSA-N |
| Mol Weight | 278.39 g/mol |
| Molecular Formula | C20H22O |
| Exact Mass | 278.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C5a303GyHAu |
|---|---|
| Name | 1,3-Diphenyl-7-octen-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.167065327 u |
| Formula | C20H22O |
| InChI | InChI=1S/C20H22O/c1-2-3-6-15-19(17-11-7-4-8-12-17)16-20(21)18-13-9-5-10-14-18/h2,4-5,7-14,19H,1,3,6,15-16H2 |
| InChIKey | MILPXXCJGWIGRM-UHFFFAOYSA-N |
| SMILES | C(CC(C1=CC=CC=C1)CCCC=C)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909175 |