![13-Acetyl[11]paracyclophane](/api/spectrum/HyRyL6w7eL0/structure.png?h=300&w=458 "13-Acetyl[11]paracyclophane")
| SpectraBase Compound ID | CiLYWnxFdBy |
|---|---|
| InChI | InChI=1S/C19H28O/c1-16(20)19-15-17-11-9-7-5-3-2-4-6-8-10-12-18(19)14-13-17/h13-15H,2-12H2,1H3 |
| InChIKey | FGEJPSUDHWNXMK-UHFFFAOYSA-N |
| Mol Weight | 272.43 g/mol |
| Molecular Formula | C19H28O |
| Exact Mass | 272.214016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HyRyL6w7eL0 |
|---|---|
| Name | 13-Acetyl[11]paracyclophane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.214015521 u |
| Formula | C19H28O |
| InChI | InChI=1S/C19H28O/c1-16(20)19-15-17-11-9-7-5-3-2-4-6-8-10-12-18(19)14-13-17/h13-15H,2-12H2,1H3 |
| InChIKey | FGEJPSUDHWNXMK-UHFFFAOYSA-N |
| Molecular Weight | 272.432 g/mol |
| SMILES | C=1(C(=O)C)C2=CC=C(C1)CCCCCCCCCCC2 |