| SpectraBase Compound ID | 3PNFA7b3UA1 |
|---|---|
| InChI | InChI=1S/C17H23NO3/c1-2-21-17(20)15-10-12-18(13-11-15)16(19)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3 |
| InChIKey | JJWKHNYMWXFXJG-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 | 830KAvYr8ot |
|---|---|
| Name | Isonipecotic acid, N-(3-phenylpropionyl)-, ethyl 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/c1-2-21-17(20)15-10-12-18(13-11-15)16(19)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3 |
| InChIKey | JJWKHNYMWXFXJG-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)CCC(N1CCC(C(OCC)=O)CC1)=O |