| SpectraBase Compound ID | ey5NU9iCvg |
|---|---|
| InChI | InChI=1S/C13H14O/c1-3-12(10-9-11(2)14)13-7-5-4-6-8-13/h4-9H,3H2,1-2H3 |
| InChIKey | GPEVHVZGFBZQJW-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C13H14O |
| Exact Mass | 186.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9f3Kq55YABp |
|---|---|
| Name | 3,4-Heptadien-2-one, 5-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.104465070 u |
| Formula | C13H14O |
| InChI | InChI=1S/C13H14O/c1-3-12(10-9-11(2)14)13-7-5-4-6-8-13/h4-9H,3H2,1-2H3 |
| InChIKey | GPEVHVZGFBZQJW-UHFFFAOYSA-N |
| Molecular Weight | 186.254 g/mol |
| SMILES | C(=C=CC(=O)C)(C=1C=CC=CC1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959024 |