![13-Methyl[11]paracyclophane](/api/spectrum/7Yug0l4yL9X/structure.png?h=300&w=458 "13-Methyl[11]paracyclophane")
| SpectraBase Compound ID | 8skVBNVMXE9 |
|---|---|
| InChI | InChI=1S/C18H28/c1-16-15-17-11-9-7-5-3-2-4-6-8-10-12-18(16)14-13-17/h13-15H,2-12H2,1H3 |
| InChIKey | HRTUYRYWFGKZEG-UHFFFAOYSA-N |
| Mol Weight | 244.42 g/mol |
| Molecular Formula | C18H28 |
| Exact Mass | 244.219101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Yug0l4yL9X |
|---|---|
| Name | 13-Methyl[11]paracyclophane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.219100902 u |
| Formula | C18H28 |
| InChI | InChI=1S/C18H28/c1-16-15-17-11-9-7-5-3-2-4-6-8-10-12-18(16)14-13-17/h13-15H,2-12H2,1H3 |
| InChIKey | HRTUYRYWFGKZEG-UHFFFAOYSA-N |
| Molecular Weight | 244.422 g/mol |
| SMILES | C=1(C2=CC=C(C1)CCCCCCCCCCC2)C |