| SpectraBase Compound ID | ENKwpgOCNe4 |
|---|---|
| InChI | InChI=1S/C18H25NO4/c1-2-3-13-22-17(20)16-9-11-19(12-10-16)18(21)23-14-15-7-5-4-6-8-15/h4-8,16H,2-3,9-14H2,1H3 |
| InChIKey | OAKDPENPLDFBOX-UHFFFAOYSA-N |
| Mol Weight | 319.4 g/mol |
| Molecular Formula | C18H25NO4 |
| Exact Mass | 319.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KlGX6luTFHI |
|---|---|
| Name | Isonipecotic acid, N-benzyloxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.178358285 u |
| Formula | C18H25NO4 |
| InChI | InChI=1S/C18H25NO4/c1-2-3-13-22-17(20)16-9-11-19(12-10-16)18(21)23-14-15-7-5-4-6-8-15/h4-8,16H,2-3,9-14H2,1H3 |
| InChIKey | OAKDPENPLDFBOX-UHFFFAOYSA-N |
| Molecular Weight | 319.401 g/mol |
| SMILES | C1C(CCN(C1)C(OCC1=CC=CC=C1)=O)C(=O)OCCCC |