| SpectraBase Compound ID | 8YOgFXAzTyc |
|---|---|
| InChI | InChI=1S/C17H17NO3/c1-3-21-17(20)15-8-5-9-18-16(15)11-13-6-4-7-14(10-13)12(2)19/h4-10H,3,11H2,1-2H3 |
| InChIKey | JLUCEXBLBPEUBZ-UHFFFAOYSA-N |
| Mol Weight | 283.33 g/mol |
| Molecular Formula | C17H17NO3 |
| Exact Mass | 283.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 14IdCmWYLEV |
|---|---|
| Name | 2-(3-Acetylbenzyl)nicotinic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.120843408 u |
| Formula | C17H17NO3 |
| InChI | InChI=1S/C17H17NO3/c1-3-21-17(20)15-8-5-9-18-16(15)11-13-6-4-7-14(10-13)12(2)19/h4-10H,3,11H2,1-2H3 |
| InChIKey | JLUCEXBLBPEUBZ-UHFFFAOYSA-N |
| SMILES | C=1(C=C(CC=2C(=CC=CN2)C(OCC)=O)C=CC1)C(=O)C |