| SpectraBase Compound ID | 5vOdBJFCPUk |
|---|---|
| InChI | InChI=1S/C16H29NO4/c1-3-5-7-13-20-15(18)14-8-10-17(11-9-14)16(19)21-12-6-4-2/h14H,3-13H2,1-2H3 |
| InChIKey | DEUNKXRGRYEBHV-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 | A0Nm4BhL5qY |
|---|---|
| Name | Isonipecotic acid, N-butoxycarbonyl-, pentyl 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/c1-3-5-7-13-20-15(18)14-8-10-17(11-9-14)16(19)21-12-6-4-2/h14H,3-13H2,1-2H3 |
| InChIKey | DEUNKXRGRYEBHV-UHFFFAOYSA-N |
| SMILES | C1N(CCC(C1)C(OCCCCC)=O)C(=O)OCCCC |