| SpectraBase Compound ID | Cq5TnucnevS |
|---|---|
| InChI | InChI=1S/C17H23NO4/c1-3-11-22-17(20)13-7-9-18(10-8-13)16(19)14-5-4-6-15(12-14)21-2/h4-6,12-13H,3,7-11H2,1-2H3 |
| InChIKey | NWIWGUVTSXQKRZ-UHFFFAOYSA-N |
| Mol Weight | 305.37 g/mol |
| Molecular Formula | C17H23NO4 |
| Exact Mass | 305.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPt9cDziHRM |
|---|---|
| Name | Isonipecotic acid, N-(3-methoxybenzoyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.162708221 u |
| Formula | C17H23NO4 |
| InChI | InChI=1S/C17H23NO4/c1-3-11-22-17(20)13-7-9-18(10-8-13)16(19)14-5-4-6-15(12-14)21-2/h4-6,12-13H,3,7-11H2,1-2H3 |
| InChIKey | NWIWGUVTSXQKRZ-UHFFFAOYSA-N |
| SMILES | COC1=CC=CC(=C1)C(N1CCC(C(OCCC)=O)CC1)=O |