| SpectraBase Compound ID | 9HhKPZY63ya |
|---|---|
| InChI | InChI=1S/C16H21NO4/c1-2-20-15(18)14-8-10-17(11-9-14)16(19)21-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3 |
| InChIKey | XXDBOGXZKIODTO-UHFFFAOYSA-N |
| Mol Weight | 291.35 g/mol |
| Molecular Formula | C16H21NO4 |
| Exact Mass | 291.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J9tho0JAOKU |
|---|---|
| Name | Isonipecotic acid, N-benzyloxycarbonyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.147058156 u |
| Formula | C16H21NO4 |
| InChI | InChI=1S/C16H21NO4/c1-2-20-15(18)14-8-10-17(11-9-14)16(19)21-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3 |
| InChIKey | XXDBOGXZKIODTO-UHFFFAOYSA-N |
| SMILES | C(OC(=O)N1CCC(C(=O)OCC)CC1)C=1C=CC=CC1 |