| SpectraBase Compound ID | EVoPEPoEA1c |
|---|---|
| InChI | InChI=1S/C17H23NO3/c1-3-11-21-17(20)14-7-9-18(10-8-14)16(19)15-6-4-5-13(2)12-15/h4-6,12,14H,3,7-11H2,1-2H3 |
| InChIKey | SEKZJUGRKLFYFG-UHFFFAOYSA-N |
| Mol Weight | 289.38 g/mol |
| Molecular Formula | C17H23NO3 |
| Exact Mass | 289.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I5fGTvrZkv3 |
|---|---|
| Name | Isonipecotic acid, N-(3-methylbenzoyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.167793602 u |
| Formula | C17H23NO3 |
| InChI | InChI=1S/C17H23NO3/c1-3-11-21-17(20)14-7-9-18(10-8-14)16(19)15-6-4-5-13(2)12-15/h4-6,12,14H,3,7-11H2,1-2H3 |
| InChIKey | SEKZJUGRKLFYFG-UHFFFAOYSA-N |
| SMILES | CCCOC(C1CCN(C(=O)C2=CC(=CC=C2)C)CC1)=O |