| SpectraBase Compound ID | 3wu2OA3pdBE |
|---|---|
| InChI | InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14) |
| InChIKey | JWOHBPPVVDQMKB-UHFFFAOYSA-N |
| Mol Weight | 229.28 g/mol |
| Molecular Formula | C11H19NO4 |
| Exact Mass | 229.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9HvnC2Fm1pP |
|---|---|
| Name | N-boc-Isonipecotic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.131408092 u |
| Formula | C11H19NO4 |
| InChI | InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14) |
| InChIKey | JWOHBPPVVDQMKB-UHFFFAOYSA-N |
| Molecular Weight | 229.276 g/mol |
| SMILES | OC(C1CCN(CC1)C(OC(C)(C)C)=O)=O |