![3-[1,1' : 4',1'']-(terphenyl-4''-yl)propionaldehyde](/api/spectrum/AbSOUXSGwk3/structure.png?h=300&w=458 "3-[1,1' : 4',1'']-(terphenyl-4''-yl)propionaldehyde")
| SpectraBase Compound ID | HJRZvSCqNlE |
|---|---|
| InChI | InChI=1S/C21H18O/c22-15-7-8-17-13-14-20(18-9-3-1-4-10-18)21(16-17)19-11-5-2-6-12-19/h1-6,9-16H,7-8H2 |
| InChIKey | MSQGTKGQTWFLQC-UHFFFAOYSA-N |
| Mol Weight | 286.37 g/mol |
| Molecular Formula | C21H18O |
| Exact Mass | 286.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AbSOUXSGwk3 |
|---|---|
| Name | 3-[1,1' : 4',1'']-(terphenyl-4''-yl)propionaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.135765199 u |
| Formula | C21H18O |
| InChI | InChI=1S/C21H18O/c22-15-7-8-17-13-14-20(18-9-3-1-4-10-18)21(16-17)19-11-5-2-6-12-19/h1-6,9-16H,7-8H2 |
| InChIKey | MSQGTKGQTWFLQC-UHFFFAOYSA-N |
| Molecular Weight | 286.374 g/mol |
| SMILES | C1(=C(C=CC(=C1)CCC=O)C1=CC=CC=C1)C=1C=CC=CC1 |