![5-{[3'-(1''-Pyrenyl)propyl]carbonylamino}-pentanoic acid](/api/spectrum/DV2FjUxwnfs/structure.png?h=300&w=458 "5-{[3'-(1''-Pyrenyl)propyl]carbonylamino}-pentanoic acid")
| SpectraBase Compound ID | 4HMZiVBl1kz |
|---|---|
| InChI | InChI=1S/C25H25NO3/c27-22(26-16-2-1-9-23(28)29)8-4-5-17-10-11-20-13-12-18-6-3-7-19-14-15-21(17)25(20)24(18)19/h3,6-7,10-15H,1-2,4-5,8-9,16H2,(H,26,27)(H,28,29) |
| InChIKey | WXGVLHXIJLPLQG-UHFFFAOYSA-N |
| Mol Weight | 387.48 g/mol |
| Molecular Formula | C25H25NO3 |
| Exact Mass | 387.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DV2FjUxwnfs |
|---|---|
| Name | 5-{[3'-(1''-Pyrenyl)propyl]carbonylamino}-pentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.183443666 u |
| Formula | C25H25NO3 |
| InChI | InChI=1S/C25H25NO3/c27-22(26-16-2-1-9-23(28)29)8-4-5-17-10-11-20-13-12-18-6-3-7-19-14-15-21(17)25(20)24(18)19/h3,6-7,10-15H,1-2,4-5,8-9,16H2,(H,26,27)(H,28,29) |
| InChIKey | WXGVLHXIJLPLQG-UHFFFAOYSA-N |
| Molecular Weight | 387.479 g/mol |
| SMILES | C1=2C=3C=CC=4C2C(C=CC4)=CC=C1C=CC3CCCC(=O)NCCCCC(=O)O |