| SpectraBase Compound ID | 1uu7VpBGv8Y |
|---|---|
| InChI | InChI=1S/C18H33NO3/c1-4-5-8-13-22-18(21)17(14(2)3)19-16(20)12-11-15-9-6-7-10-15/h14-15,17H,4-13H2,1-3H3,(H,19,20) |
| InChIKey | PQNAJFIGWOKABP-UHFFFAOYSA-N |
| Mol Weight | 311.5 g/mol |
| Molecular Formula | C18H33NO3 |
| Exact Mass | 311.246044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3YwRd5JoHGC |
|---|---|
| Name | L-Valine, N-(3-cyclopentylpropionyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.246043924 u |
| Formula | C18H33NO3 |
| InChI | InChI=1S/C18H33NO3/c1-4-5-8-13-22-18(21)17(14(2)3)19-16(20)12-11-15-9-6-7-10-15/h14-15,17H,4-13H2,1-3H3,(H,19,20) |
| InChIKey | PQNAJFIGWOKABP-UHFFFAOYSA-N |
| Molecular Weight | 311.466 g/mol |
| SMILES | C1CC(CCC(NC(C(C)C)C(=O)OCCCCC)=O)CC1 |