![1-Aza-[14]-paracyclophane-2,14-dione](/api/spectrum/9gbB3xXSOdQ/structure.png?h=300&w=458 "1-Aza-[14]-paracyclophane-2,14-dione")
| SpectraBase Compound ID | 2B7G7VfXExP |
|---|---|
| InChI | InChI=1S/C19H27NO2/c21-18-10-8-6-4-2-1-3-5-7-9-11-19(22)20-17-14-12-16(18)13-15-17/h12-15H,1-11H2,(H,20,22) |
| InChIKey | MPPOQMBRVBZDIV-UHFFFAOYSA-N |
| Mol Weight | 301.43 g/mol |
| Molecular Formula | C19H27NO2 |
| Exact Mass | 301.204179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9gbB3xXSOdQ |
|---|---|
| Name | 1-aza-[14]-Paracyclophane-2,14-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.204179111 u |
| Formula | C19H27NO2 |
| InChI | InChI=1S/C19H27NO2/c21-18-10-8-6-4-2-1-3-5-7-9-11-19(22)20-17-14-12-16(18)13-15-17/h12-15H,1-11H2,(H,20,22) |
| InChIKey | MPPOQMBRVBZDIV-UHFFFAOYSA-N |
| SMILES | C1(NC2=CC=C(C(CCCCCCCCCCC1)=O)C=C2)=O |