| SpectraBase Compound ID | 1m4IxV8odYM |
|---|---|
| InChI | InChI=1S/C16H21NO4/c1-3-21-16(19)12-8-10-17(11-9-12)15(18)13-6-4-5-7-14(13)20-2/h4-7,12H,3,8-11H2,1-2H3 |
| InChIKey | CCPHBPMRELGJSX-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 | 6MgqXHrPeFz |
|---|---|
| Name | Isonipecotic acid, N-(2-methoxybenzoyl)-, 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/c1-3-21-16(19)12-8-10-17(11-9-12)15(18)13-6-4-5-7-14(13)20-2/h4-7,12H,3,8-11H2,1-2H3 |
| InChIKey | CCPHBPMRELGJSX-UHFFFAOYSA-N |
| SMILES | COC=1C=CC=CC1C(N1CCC(C(OCC)=O)CC1)=O |