| SpectraBase Compound ID | Juj12Z03ls4 |
|---|---|
| InChI | InChI=1S/C17H12ClNO2/c1-11-5-7-12(8-6-11)9-15-17(20)21-16(19-15)13-3-2-4-14(18)10-13/h2-10H,1H3/b15-9+ |
| InChIKey | MQXCWBMAZPDDBE-OQLLNIDSSA-N |
| Mol Weight | 297.74 g/mol |
| Molecular Formula | C17H12ClNO2 |
| Exact Mass | 297.055656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7BW0XV3nZuh |
|---|---|
| Name | 2-(3-Chlorophenyl)-4-(4-methylbenzylidene)-2-oxazolin-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.055656328 u |
| Formula | C17H12ClNO2 |
| InChI | InChI=1S/C17H12ClNO2/c1-11-5-7-12(8-6-11)9-15-17(20)21-16(19-15)13-3-2-4-14(18)10-13/h2-10H,1H3/b15-9+ |
| InChIKey | MQXCWBMAZPDDBE-OQLLNIDSSA-N |
| Molecular Weight | 297.741 g/mol |
| SMILES | C1(\C(N=C(O1)c1cc(ccc1)Cl)=C/c1ccc(cc1)C)=O |