![4-(3-Oxobutenyl)[2.2]paracyclophane](/api/spectrum/95sO6V2TNR1/structure.png?h=300&w=458 "4-(3-Oxobutenyl)[2.2]paracyclophane")
| SpectraBase Compound ID | FRTRc97eKcW |
|---|---|
| InChI | InChI=1S/C20H20O/c1-15(21)2-11-20-14-18-8-7-16-3-5-17(6-4-16)9-12-19(20)13-10-18/h2-6,10-11,13-14H,7-9,12H2,1H3/b11-2+ |
| InChIKey | ZDRWQGSTEYVIEH-BIIKFXOESA-N |
| Mol Weight | 276.38 g/mol |
| Molecular Formula | C20H20O |
| Exact Mass | 276.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95sO6V2TNR1 |
|---|---|
| Name | 4-(3-Oxobutenyl)[2.2]paracyclophane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.151415263 u |
| Formula | C20H20O |
| InChI | InChI=1S/C20H20O/c1-15(21)2-11-20-14-18-8-7-16-3-5-17(6-4-16)9-12-19(20)13-10-18/h2-6,10-11,13-14H,7-9,12H2,1H3/b11-2+ |
| InChIKey | ZDRWQGSTEYVIEH-BIIKFXOESA-N |
| Molecular Weight | 276.379 g/mol |
| SMILES | C=1(\C=C\C(=O)C)C2=CC=C(C1)CCC=1C=CC(CC2)=CC1 |