| SpectraBase Compound ID | BrFeZMEwRCI |
|---|---|
| InChI | InChI=1S/C15H27NO4/c1-3-5-6-7-12-20-14(17)13-8-10-16(11-9-13)15(18)19-4-2/h13H,3-12H2,1-2H3 |
| InChIKey | SUORSPDESFLWDY-UHFFFAOYSA-N |
| Mol Weight | 285.38 g/mol |
| Molecular Formula | C15H27NO4 |
| Exact Mass | 285.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2z0pn9An1vd |
|---|---|
| Name | Isonipecotic acid, N-ethoxycarbonyl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.194008349 u |
| Formula | C15H27NO4 |
| InChI | InChI=1S/C15H27NO4/c1-3-5-6-7-12-20-14(17)13-8-10-16(11-9-13)15(18)19-4-2/h13H,3-12H2,1-2H3 |
| InChIKey | SUORSPDESFLWDY-UHFFFAOYSA-N |
| SMILES | C1N(CCC(C1)C(OCCCCCC)=O)C(OCC)=O |