| SpectraBase Compound ID | GRAISA8RNoX |
|---|---|
| InChI | InChI=1S/C16H9Cl2NO2/c17-11-7-5-10(6-8-11)9-14-16(20)21-15(19-14)12-3-1-2-4-13(12)18/h1-9H/b14-9+ |
| InChIKey | ROLLULMZYUVCBZ-NTEUORMPSA-N |
| Mol Weight | 318.16 g/mol |
| Molecular Formula | C16H9Cl2NO2 |
| Exact Mass | 317.001034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FFeZ3F0gy1T |
|---|---|
| Name | 4-(4-Chlorobenzylidene)-2-(2-chlorophenyl)-4,5-dihydro-5-oxazolone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.001033932 u |
| Formula | C16H9Cl2NO2 |
| InChI | InChI=1S/C16H9Cl2NO2/c17-11-7-5-10(6-8-11)9-14-16(20)21-15(19-14)12-3-1-2-4-13(12)18/h1-9H/b14-9+ |
| InChIKey | ROLLULMZYUVCBZ-NTEUORMPSA-N |
| Molecular Weight | 318.159 g/mol |
| SMILES | C1(\C(=C/C2=CC=C(C=C2)Cl)N=C(O1)C1=CC=CC=C1Cl)=O |