![N-Octyl-5-{[3'-(1"-pyrenyl)propyl]carbonylamino}-pentanoylamide](/api/spectrum/4yWeeDjIGDs/structure.png?h=300&w=458 "N-Octyl-5-{[3'-(1\"-pyrenyl)propyl]carbonylamino}-pentanoylamide")
| SpectraBase Compound ID | HKYGQybmleQ |
|---|---|
| InChI | InChI=1S/C33H42N2O2/c1-2-3-4-5-6-8-23-34-30(36)15-7-9-24-35-31(37)16-11-12-25-17-18-28-20-19-26-13-10-14-27-21-22-29(25)33(28)32(26)27/h10,13-14,17-22H,2-9,11-12,15-16,23-24H2,1H3,(H,34,36)(H,35,37) |
| InChIKey | GAQIUZVEYOYNKG-UHFFFAOYSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C33H42N2O2 |
| Exact Mass | 498.324629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4yWeeDjIGDs |
|---|---|
| Name | N-Octyl-5-{[3'-(1""""-pyrenyl)propyl]carbonylamino}-pentanoylamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 498.324628598 u |
| Formula | C33H42N2O2 |
| InChI | InChI=1S/C33H42N2O2/c1-2-3-4-5-6-8-23-34-30(36)15-7-9-24-35-31(37)16-11-12-25-17-18-28-20-19-26-13-10-14-27-21-22-29(25)33(28)32(26)27/h10,13-14,17-22H,2-9,11-12,15-16,23-24H2,1H3,(H,34,36)(H,35,37) |
| InChIKey | GAQIUZVEYOYNKG-UHFFFAOYSA-N |
| Molecular Weight | 498.711 g/mol |
| SMILES | C1=2C=3C=CC=4C2C(C=CC4)=CC=C1C=CC3CCCC(=O)NCCCCC(=O)NCCCCCCCC |