![5-Formyl[3.2]paracyclophane](/api/spectrum/KeP0Br9hfn4/structure.png?h=300&w=458 "5-Formyl[3.2]paracyclophane")
| SpectraBase Compound ID | 3OLW0LcCJ7J |
|---|---|
| InChI | InChI=1S/C18H18O/c19-13-18-12-16-9-8-15-6-4-14(5-7-15)2-1-3-17(18)11-10-16/h4-7,10-13H,1-3,8-9H2 |
| InChIKey | RFKPRQGFWNJKSJ-UHFFFAOYSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C18H18O |
| Exact Mass | 250.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KeP0Br9hfn4 |
|---|---|
| Name | 5-Formyl[3.2]paracyclophane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.135765199 u |
| Formula | C18H18O |
| InChI | InChI=1S/C18H18O/c19-13-18-12-16-9-8-15-6-4-14(5-7-15)2-1-3-17(18)11-10-16/h4-7,10-13H,1-3,8-9H2 |
| InChIKey | RFKPRQGFWNJKSJ-UHFFFAOYSA-N |
| Molecular Weight | 250.341 g/mol |
| SMILES | C=1(C2=CC=C(C1)CCC=1C=CC(CCC2)=CC1)C=O |