| SpectraBase Compound ID | CKA8eabMO7I |
|---|---|
| InChI | InChI=1S/C17H31NO3/c1-13(2)6-5-11-21-17(20)15-7-9-18(10-8-15)16(19)12-14(3)4/h13-15H,5-12H2,1-4H3 |
| InChIKey | KCDYBGSABUBEKX-UHFFFAOYSA-N |
| Mol Weight | 297.44 g/mol |
| Molecular Formula | C17H31NO3 |
| Exact Mass | 297.230394 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 | 82w7TORNHEv |
|---|---|
| Name | Isonipecotic acid, N-(3-methylbutyryl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.230393859 u |
| Formula | C17H31NO3 |
| InChI | InChI=1S/C17H31NO3/c1-13(2)6-5-11-21-17(20)15-7-9-18(10-8-15)16(19)12-14(3)4/h13-15H,5-12H2,1-4H3 |
| InChIKey | KCDYBGSABUBEKX-UHFFFAOYSA-N |
| SMILES | CC(CC(N1CCC(C(OCCCC(C)C)=O)CC1)=O)C |