| SpectraBase Compound ID | 8whxMUtKU1M |
|---|---|
| InChI | InChI=1S/C12H14O2/c13-10-4-7-12(14)9-8-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2 |
| InChIKey | FXOPDCDOJANSRI-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Juol9xVN4EP |
|---|---|
| Name | 4-oxo-6-Phenylhexanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c13-10-4-7-12(14)9-8-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2 |
| InChIKey | FXOPDCDOJANSRI-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C(=O)(CCC1=CC=CC=C1)CCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.800506 |