| SpectraBase Compound ID | CCSsz1x1eYO |
|---|---|
| InChI | InChI=1S/C17H23NO4/c1-3-12-22-17(20)13-8-10-18(11-9-13)16(19)14-6-4-5-7-15(14)21-2/h4-7,13H,3,8-12H2,1-2H3 |
| InChIKey | IJGFXCWNVDXTMO-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 | 5gKW1qiLYGy |
|---|---|
| Name | Isonipecotic acid, N-(2-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/c1-3-12-22-17(20)13-8-10-18(11-9-13)16(19)14-6-4-5-7-15(14)21-2/h4-7,13H,3,8-12H2,1-2H3 |
| InChIKey | IJGFXCWNVDXTMO-UHFFFAOYSA-N |
| SMILES | COC1=C(C=CC=C1)C(N1CCC(C(OCCC)=O)CC1)=O |