| SpectraBase Compound ID | Bda7JM3aZwK |
|---|---|
| InChI | InChI=1S/C17H23NO3/c1-3-12-21-17(20)15-8-10-18(11-9-15)16(19)14-6-4-13(2)5-7-14/h4-7,15H,3,8-12H2,1-2H3 |
| InChIKey | UKUPEZHOPOXXHH-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 | Bgj3ATUVmtp |
|---|---|
| Name | Isonipecotic acid, N-(4-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/c1-3-12-21-17(20)15-8-10-18(11-9-15)16(19)14-6-4-13(2)5-7-14/h4-7,15H,3,8-12H2,1-2H3 |
| InChIKey | UKUPEZHOPOXXHH-UHFFFAOYSA-N |
| SMILES | CCCOC(C1CCN(C(=O)C2=CC=C(C=C2)C)CC1)=O |