| SpectraBase Compound ID | Flzddm3wgeX |
|---|---|
| InChI | InChI=1S/C19H33NO3/c1-2-3-6-15-23-19(22)17-11-13-20(14-12-17)18(21)10-9-16-7-4-5-8-16/h16-17H,2-15H2,1H3 |
| InChIKey | BRYGAFNNSUFUPP-UHFFFAOYSA-N |
| Mol Weight | 323.5 g/mol |
| Molecular Formula | C19H33NO3 |
| Exact Mass | 323.246044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ydvPXOKByw |
|---|---|
| Name | Isonipecotic acid, N-(3-cyclopentylpropionyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.246043924 u |
| Formula | C19H33NO3 |
| InChI | InChI=1S/C19H33NO3/c1-2-3-6-15-23-19(22)17-11-13-20(14-12-17)18(21)10-9-16-7-4-5-8-16/h16-17H,2-15H2,1H3 |
| InChIKey | BRYGAFNNSUFUPP-UHFFFAOYSA-N |
| Molecular Weight | 323.477 g/mol |
| SMILES | CCCCCOC(C1CCN(C(=O)CCC2CCCC2)CC1)=O |