| SpectraBase Compound ID | H9HpjGsie7V |
|---|---|
| InChI | InChI=1S/C18H33NO3/c1-4-5-6-7-8-13-22-18(21)16-9-11-19(12-10-16)17(20)14-15(2)3/h15-16H,4-14H2,1-3H3 |
| InChIKey | MBYAKLHPYOQAGV-UHFFFAOYSA-N |
| Mol Weight | 311.5 g/mol |
| Molecular Formula | C18H33NO3 |
| Exact Mass | 311.246044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JY67IngeTIo |
|---|---|
| Name | Isonipecotic acid, N-(3-methylbutyryl)-, heptyl 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/c1-4-5-6-7-8-13-22-18(21)16-9-11-19(12-10-16)17(20)14-15(2)3/h15-16H,4-14H2,1-3H3 |
| InChIKey | MBYAKLHPYOQAGV-UHFFFAOYSA-N |
| Molecular Weight | 311.466 g/mol |
| SMILES | CC(CC(N1CCC(C(OCCCCCCC)=O)CC1)=O)C |