| SpectraBase Compound ID | Ezfk4bs2v2a |
|---|---|
| InChI | InChI=1S/C16H12N2O4/c19-16-14(10-11-6-8-13(9-7-11)18(20)21)17-15(22-16)12-4-2-1-3-5-12/h1-9,14H,10H2 |
| InChIKey | HECXVHMPOHRJDY-UHFFFAOYSA-N |
| Mol Weight | 296.28 g/mol |
| Molecular Formula | C16H12N2O4 |
| Exact Mass | 296.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7NphWyv2ZF |
|---|---|
| Name | 4-(4-Nitrobenzyl)-2-phenyl-4H-oxazol-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.079706870 u |
| Formula | C16H12N2O4 |
| InChI | InChI=1S/C16H12N2O4/c19-16-14(10-11-6-8-13(9-7-11)18(20)21)17-15(22-16)12-4-2-1-3-5-12/h1-9,14H,10H2 |
| InChIKey | HECXVHMPOHRJDY-UHFFFAOYSA-N |
| Molecular Weight | 296.282 g/mol |
| SMILES | C1(=NC(CC2=CC=C(N(=O)=O)C=C2)C(O1)=O)C=1C=CC=CC1 |