![4-[4-Cyanophenoxy]benzaldehyde](/api/spectrum/I6y6T042lnE/structure.png?h=300&w=458 "4-[4-Cyanophenoxy]benzaldehyde")
| SpectraBase Compound ID | DmJRuoQaSqM |
|---|---|
| InChI | InChI=1S/C14H9NO2/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8,10H |
| InChIKey | PYODQZCRZBCXPW-UHFFFAOYSA-N |
| Mol Weight | 223.23 g/mol |
| Molecular Formula | C14H9NO2 |
| Exact Mass | 223.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I6y6T042lnE |
|---|---|
| Name | 4-[4-Cyanophenoxy]benzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.063328532 u |
| Formula | C14H9NO2 |
| InChI | InChI=1S/C14H9NO2/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8,10H |
| InChIKey | PYODQZCRZBCXPW-UHFFFAOYSA-N |
| Molecular Weight | 223.231 g/mol |
| SMILES | C1(=CC=C(C=C1)C#N)OC1=CC=C(C=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94501 |