| SpectraBase Compound ID | FjA7awA6BUw |
|---|---|
| InChI | InChI=1S/C18H12N2O5/c21-18(13-9-11-19-12-10-13)25-17-7-5-16(6-8-17)24-15-3-1-14(2-4-15)20(22)23/h1-12H |
| InChIKey | STLUOJSIXAWSGO-UHFFFAOYSA-N |
| Mol Weight | 336.3 g/mol |
| Molecular Formula | C18H12N2O5 |
| Exact Mass | 336.074621 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4dL0p6vfT6Z |
|---|---|
| Name | Pyridine-4-carboxylic acid, 4-(4-nitrophenoxy)phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.074621489 u |
| Formula | C18H12N2O5 |
| InChI | InChI=1S/C18H12N2O5/c21-18(13-9-11-19-12-10-13)25-17-7-5-16(6-8-17)24-15-3-1-14(2-4-15)20(22)23/h1-12H |
| InChIKey | STLUOJSIXAWSGO-UHFFFAOYSA-N |
| Molecular Weight | 336.303 g/mol |
| SMILES | C1=CN=CC=C1C(OC=1C=CC(=CC1)OC1=CC=C(N(=O)=O)C=C1)=O |