![Methyl[3.2]paracyclophane-5-carboxylate](/api/spectrum/FMPCEMA8iAa/structure.png?h=300&w=458 "Methyl[3.2]paracyclophane-5-carboxylate")
| SpectraBase Compound ID | 5vMZAgo1BlF |
|---|---|
| InChI | InChI=1S/C19H20O2/c1-21-19(20)18-13-16-10-9-15-7-5-14(6-8-15)3-2-4-17(18)12-11-16/h5-8,11-13H,2-4,9-10H2,1H3 |
| InChIKey | HSOMQYJSMQASEW-UHFFFAOYSA-N |
| Mol Weight | 280.37 g/mol |
| Molecular Formula | C19H20O2 |
| Exact Mass | 280.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FMPCEMA8iAa |
|---|---|
| Name | Methyl[3.2]paracyclophane-5-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.146329882 u |
| Formula | C19H20O2 |
| InChI | InChI=1S/C19H20O2/c1-21-19(20)18-13-16-10-9-15-7-5-14(6-8-15)3-2-4-17(18)12-11-16/h5-8,11-13H,2-4,9-10H2,1H3 |
| InChIKey | HSOMQYJSMQASEW-UHFFFAOYSA-N |
| SMILES | C=1(C(=O)OC)C2=CC=C(C1)CCC=1C=CC(CCC2)=CC1 |