| SpectraBase Compound ID | BGBguxpEZoC |
|---|---|
| InChI | InChI=1S/C18H33NO3/c1-4-5-6-7-8-9-17(20)19-12-10-16(11-13-19)18(21)22-14-15(2)3/h15-16H,4-14H2,1-3H3 |
| InChIKey | JWESKGOLWARBFE-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 | A7VQeihw4DA |
|---|---|
| Name | Isonipecotic acid, N-(octanoyl)-, isobutyl 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/c1-4-5-6-7-8-9-17(20)19-12-10-16(11-13-19)18(21)22-14-15(2)3/h15-16H,4-14H2,1-3H3 |
| InChIKey | JWESKGOLWARBFE-UHFFFAOYSA-N |
| Molecular Weight | 311.466 g/mol |
| SMILES | C(CCCCCC(N1CCC(C(OCC(C)C)=O)CC1)=O)C |