| SpectraBase Compound ID | GJc94erciVu |
|---|---|
| InChI | InChI=1S/C16H27NO4/c1-3-5-6-7-13-20-15(18)14-8-10-17(11-9-14)16(19)21-12-4-2/h4,14H,2-3,5-13H2,1H3 |
| InChIKey | AUZMEBLNVMNDIK-UHFFFAOYSA-N |
| Mol Weight | 297.4 g/mol |
| Molecular Formula | C16H27NO4 |
| Exact Mass | 297.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RVdTIWV9Q5 |
|---|---|
| Name | Isonipecotic acid, N-allyloxycarbonyl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.194008349 u |
| Formula | C16H27NO4 |
| InChI | InChI=1S/C16H27NO4/c1-3-5-6-7-13-20-15(18)14-8-10-17(11-9-14)16(19)21-12-4-2/h4,14H,2-3,5-13H2,1H3 |
| InChIKey | AUZMEBLNVMNDIK-UHFFFAOYSA-N |
| Molecular Weight | 297.395 g/mol |
| SMILES | C1N(CCC(C1)C(OCCCCCC)=O)C(OCC=C)=O |