| SpectraBase Compound ID | GO2G1VYfYGP |
|---|---|
| InChI | InChI=1S/C19H17NO2/c1-3-22-19(21)15-11-12-18(20-13(15)2)17-10-6-8-14-7-4-5-9-16(14)17/h4-12H,3H2,1-2H3 |
| InChIKey | YGKBWYDJXOHJND-UHFFFAOYSA-N |
| Mol Weight | 291.35 g/mol |
| Molecular Formula | C19H17NO2 |
| Exact Mass | 291.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42i2bfMDWaY |
|---|---|
| Name | 2-Methyl-6-naphthalen-1-yl-nicotinic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.125928789 u |
| Formula | C19H17NO2 |
| InChI | InChI=1S/C19H17NO2/c1-3-22-19(21)15-11-12-18(20-13(15)2)17-10-6-8-14-7-4-5-9-16(14)17/h4-12H,3H2,1-2H3 |
| InChIKey | YGKBWYDJXOHJND-UHFFFAOYSA-N |
| Molecular Weight | 291.350 g/mol |
| SMILES | C1(=C(N=C(C=C1)C1=C2C(C=CC=C2)=CC=C1)C)C(=O)OCC |