| SpectraBase Compound ID | DOa9lJ1zOY2 |
|---|---|
| InChI | InChI=1S/C16H9BrClNOSe/c17-12-5-1-10(2-6-12)14-9-21-16(19-14)15(20)11-3-7-13(18)8-4-11/h1-9H |
| InChIKey | VWLDWGLYWXYIRT-UHFFFAOYSA-N |
| Mol Weight | 425.58 g/mol |
| Molecular Formula | C16H9BrClNOSe |
| Exact Mass | 424.872127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EGiaCUXoCI5 |
|---|---|
| Name | 2-(4-Chlorobenzoyl)-4-(4-bromophenyl)-1,3-selenazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.872126613 u |
| Formula | C16H9BrClNOSe |
| InChI | InChI=1S/C16H9BrClNOSe/c17-12-5-1-10(2-6-12)14-9-21-16(19-14)15(20)11-3-7-13(18)8-4-11/h1-9H |
| InChIKey | VWLDWGLYWXYIRT-UHFFFAOYSA-N |
| Molecular Weight | 425.583 g/mol |
| SMILES | C=1([Se]C=C(N1)C=1C=CC(=CC1)Br)C(C=1C=CC(=CC1)Cl)=O |