![Benzyl (rp,S)-[1-([2.2]paracyclophane-4'-yl)heptyl]carbamate](/api/spectrum/JYglUmxJPn4/structure.png?h=300&w=458 "Benzyl (rp,S)-[1-([2.2]paracyclophane-4'-yl)heptyl]carbamate")
| SpectraBase Compound ID | 7sPb66MEWOM |
|---|---|
| InChI | InChI=1S/C31H37NO2/c1-2-3-4-8-11-30(32-31(33)34-23-27-9-6-5-7-10-27)29-22-26-17-16-24-12-14-25(15-13-24)18-20-28(29)21-19-26/h5-7,9-10,12-15,19,21-22,30H,2-4,8,11,16-18,20,23H2,1H3,(H,32,33)/t30-/m0/s1 |
| InChIKey | IAVNCIIKYRDZKZ-PMERELPUSA-N |
| Mol Weight | 455.6 g/mol |
| Molecular Formula | C31H37NO2 |
| Exact Mass | 455.282429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JYglUmxJPn4 |
|---|---|
| Name | Benzyl (rp,S)-[1-([2.2]paracyclophane-4'-yl)heptyl]carbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 455.282429433 u |
| Formula | C31H37NO2 |
| InChI | InChI=1S/C31H37NO2/c1-2-3-4-8-11-30(32-31(33)34-23-27-9-6-5-7-10-27)29-22-26-17-16-24-12-14-25(15-13-24)18-20-28(29)21-19-26/h5-7,9-10,12-15,19,21-22,30H,2-4,8,11,16-18,20,23H2,1H3,(H,32,33)/t30-/m0/s1 |
| InChIKey | IAVNCIIKYRDZKZ-PMERELPUSA-N |
| Molecular Weight | 455.642 g/mol |
| SMILES | C(N[C@](C1=C2CCC3=CC=C(CCC(=C1)C=C2)C=C3)(CCCCCC)[H])(=O)OCC1=CC=CC=C1 |