| SpectraBase Compound ID | LcqQwe5n359 |
|---|---|
| InChI | InChI=1S/C13H13NO2/c1-9(2)8-11-13(15)16-12(14-11)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8- |
| InChIKey | GFALCQUIQXDGSB-FLIBITNWSA-N |
| Mol Weight | 215.25 g/mol |
| Molecular Formula | C13H13NO2 |
| Exact Mass | 215.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 45RZbqctnDQ |
|---|---|
| Name | 4-Isobutyliden-2-phenyl-4H-oxazol-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.094628661 u |
| Formula | C13H13NO2 |
| InChI | InChI=1S/C13H13NO2/c1-9(2)8-11-13(15)16-12(14-11)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8- |
| InChIKey | GFALCQUIQXDGSB-FLIBITNWSA-N |
| Molecular Weight | 215.252 g/mol |
| SMILES | CC(C)\C=C\1N=C(OC1=O)C1=CC=CC=C1 |