| SpectraBase Compound ID | ACdwoGEitDJ |
|---|---|
| InChI | InChI=1S/C16H29NO4/c1-3-4-5-6-7-8-13-21-15(18)14-9-11-17(12-10-14)16(19)20-2/h14H,3-13H2,1-2H3 |
| InChIKey | ADAVEXCUDTXASJ-UHFFFAOYSA-N |
| Mol Weight | 299.41 g/mol |
| Molecular Formula | C16H29NO4 |
| Exact Mass | 299.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EzQH0rBG6c8 |
|---|---|
| Name | Isonipecotic acid, N-methoxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.209658414 u |
| Formula | C16H29NO4 |
| InChI | InChI=1S/C16H29NO4/c1-3-4-5-6-7-8-13-21-15(18)14-9-11-17(12-10-14)16(19)20-2/h14H,3-13H2,1-2H3 |
| InChIKey | ADAVEXCUDTXASJ-UHFFFAOYSA-N |
| SMILES | C1N(CCC(C1)C(OCCCCCCCC)=O)C(OC)=O |