![Benzyl (rp,S)-[1-([2.2]paracyclophane-4'-yl)butyl]carbamate](/api/spectrum/1D1mqXdpk5M/structure.png?h=300&w=458 "Benzyl (rp,S)-[1-([2.2]paracyclophane-4'-yl)butyl]carbamate")
| SpectraBase Compound ID | Gm7Bre45kyV |
|---|---|
| InChI | InChI=1S/C28H31NO2/c1-2-6-27(29-28(30)31-20-24-7-4-3-5-8-24)26-19-23-14-13-21-9-11-22(12-10-21)15-17-25(26)18-16-23/h3-5,7-12,16,18-19,27H,2,6,13-15,17,20H2,1H3,(H,29,30)/t27-/m0/s1 |
| InChIKey | TYOUZKLQKVNEKP-MHZLTWQESA-N |
| Mol Weight | 413.56 g/mol |
| Molecular Formula | C28H31NO2 |
| Exact Mass | 413.235479 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1D1mqXdpk5M |
|---|---|
| Name | Benzyl (rp,S)-[1-([2.2]paracyclophane-4'-yl)butyl]carbamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 413.235479240 u |
| Formula | C28H31NO2 |
| InChI | InChI=1S/C28H31NO2/c1-2-6-27(29-28(30)31-20-24-7-4-3-5-8-24)26-19-23-14-13-21-9-11-22(12-10-21)15-17-25(26)18-16-23/h3-5,7-12,16,18-19,27H,2,6,13-15,17,20H2,1H3,(H,29,30)/t27-/m0/s1 |
| InChIKey | TYOUZKLQKVNEKP-MHZLTWQESA-N |
| Molecular Weight | 413.561 g/mol |
| SMILES | C(N[C@](C1=C2CCC3=CC=C(CCC(=C1)C=C2)C=C3)(CCC)[H])(=O)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878045 |