| SpectraBase Compound ID | DFF3Uve2kQG |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-10(14)4-2-5-11-6-3-7-12(8-11)9-13/h3,6-9H,2,4-5H2,1H3 |
| InChIKey | AVWYQIFKDAYVSP-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 | LxUMpgFgJMZ |
|---|---|
| Name | 3-(4-Ketopentyl)benzaldehyde |
| 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/c1-10(14)4-2-5-11-6-3-7-12(8-11)9-13/h3,6-9H,2,4-5H2,1H3 |
| InChIKey | AVWYQIFKDAYVSP-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C(=O)(CCCC1=CC(C=O)=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917925 |