![2-[4-(Benzyloxy)phenyl]-2-oxoethyl isonicotinate](/api/spectrum/p6GasU8UrA/structure.png?h=300&w=458 "2-[4-(Benzyloxy)phenyl]-2-oxoethyl isonicotinate")
| SpectraBase Compound ID | EPRVw07lili |
|---|---|
| InChI | InChI=1S/C21H17NO4/c23-20(15-26-21(24)18-10-12-22-13-11-18)17-6-8-19(9-7-17)25-14-16-4-2-1-3-5-16/h1-13H,14-15H2 |
| InChIKey | HLOHKRXWKBKKER-UHFFFAOYSA-N |
| Mol Weight | 347.37 g/mol |
| Molecular Formula | C21H17NO4 |
| Exact Mass | 347.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | p6GasU8UrA |
|---|---|
| Name | 2-[4-(Benzyloxy)phenyl]-2-oxoethyl isonicotinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.115758027 u |
| Formula | C21H17NO4 |
| InChI | InChI=1S/C21H17NO4/c23-20(15-26-21(24)18-10-12-22-13-11-18)17-6-8-19(9-7-17)25-14-16-4-2-1-3-5-16/h1-13H,14-15H2 |
| InChIKey | HLOHKRXWKBKKER-UHFFFAOYSA-N |
| Molecular Weight | 347.370 g/mol |
| SMILES | C(OCC(C1=CC=C(OCC2=CC=CC=C2)C=C1)=O)(=O)C=1C=CN=CC1 |