![4-[3-(4-Formylphenyl)propyl]isophthalaldehyde](/api/spectrum/KhSvHnkm8z2/structure.png?h=300&w=458 "4-[3-(4-Formylphenyl)propyl]isophthalaldehyde")
| SpectraBase Compound ID | 1xdYGroWYAF |
|---|---|
| InChI | InChI=1S/C18H16O3/c19-11-15-6-4-14(5-7-15)2-1-3-17-9-8-16(12-20)10-18(17)13-21/h4-13H,1-3H2 |
| InChIKey | WORJATYALCGSAC-UHFFFAOYSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C18H16O3 |
| Exact Mass | 280.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KhSvHnkm8z2 |
|---|---|
| Name | 4-[3-(4-Formylphenyl)propyl]isophthalaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.109944372 u |
| Formula | C18H16O3 |
| InChI | InChI=1S/C18H16O3/c19-11-15-6-4-14(5-7-15)2-1-3-17-9-8-16(12-20)10-18(17)13-21/h4-13H,1-3H2 |
| InChIKey | WORJATYALCGSAC-UHFFFAOYSA-N |
| SMILES | c1(ccc(cc1)C=O)CCCc1c(cc(cc1)C=O)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.819154 |