| SpectraBase Compound ID | EhR5K7PrFY1 |
|---|---|
| InChI | InChI=1S/C21H17NO/c1-15-20(22-21(23-15)17-11-6-3-7-12-17)19-14-8-13-18(19)16-9-4-2-5-10-16/h2-7,9-14H,8H2,1H3 |
| InChIKey | CAAFTZYQRMUINQ-UHFFFAOYSA-N |
| Mol Weight | 299.37 g/mol |
| Molecular Formula | C21H17NO |
| Exact Mass | 299.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kqm07Ut57Rt |
|---|---|
| Name | 5-Methyl-2-phenyl-4-(5-phenylcyclopenta-1,4-dien-1-yl)-1,3-oxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.131014170 u |
| Formula | C21H17NO |
| InChI | InChI=1S/C21H17NO/c1-15-20(22-21(23-15)17-11-6-3-7-12-17)19-14-8-13-18(19)16-9-4-2-5-10-16/h2-7,9-14H,8H2,1H3 |
| InChIKey | CAAFTZYQRMUINQ-UHFFFAOYSA-N |
| SMILES | C1(=CCC=C1C=1N=C(C=2C=CC=CC2)OC1C)C1=CC=CC=C1 |