| SpectraBase Compound ID | xFNKEZqs0H |
|---|---|
| InChI | InChI=1S/C14H16O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h2-4,6-8,10-11H,1,5,9,12H2/b4-3+ |
| InChIKey | NLKIBQYRLPWHET-ONEGZZNKSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C14H16O |
| Exact Mass | 200.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HBMxg41HTla |
|---|---|
| Name | 1-Phenyl-5,7-octadien-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.120115134 u |
| Formula | C14H16O |
| InChI | InChI=1S/C14H16O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h2-4,6-8,10-11H,1,5,9,12H2/b4-3+ |
| InChIKey | NLKIBQYRLPWHET-ONEGZZNKSA-N |
| Molecular Weight | 200.281 g/mol |
| SMILES | C(CCC\C=C\C=C)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945323 |