| SpectraBase Compound ID | 6Kk03Km58tG |
|---|---|
| InChI | InChI=1S/C18H25NO4/c1-14(2)12-22-17(20)16-8-10-19(11-9-16)18(21)23-13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3 |
| InChIKey | XCHZRSFSTBJFJL-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 | FA2f9iR8yLP |
|---|---|
| Name | Isonipecotic acid, N-benzyloxycarbonyl-, isobutyl 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/c1-14(2)12-22-17(20)16-8-10-19(11-9-16)18(21)23-13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3 |
| InChIKey | XCHZRSFSTBJFJL-UHFFFAOYSA-N |
| Molecular Weight | 319.401 g/mol |
| SMILES | C1C(CCN(C1)C(OCC1=CC=CC=C1)=O)C(=O)OCC(C)C |