| SpectraBase Compound ID | 1j7yFek20Jn |
|---|---|
| InChI | InChI=1S/C15H10BrCl2NOS/c16-10-3-1-9(2-4-10)15-19(14(20)8-21-15)11-5-6-12(17)13(18)7-11/h1-7,15H,8H2 |
| InChIKey | WRGQSXNAJBDKQK-UHFFFAOYSA-N |
| Mol Weight | 403.12 g/mol |
| Molecular Formula | C15H10BrCl2NOS |
| Exact Mass | 400.904354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EjZAgjrMEQO |
|---|---|
| Name | Thiazolidin-4-one, 2-(4-bromophenyl)-3-(3,4-dichlorophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.904353519 u |
| Formula | C15H10BrCl2NOS |
| InChI | InChI=1S/C15H10BrCl2NOS/c16-10-3-1-9(2-4-10)15-19(14(20)8-21-15)11-5-6-12(17)13(18)7-11/h1-7,15H,8H2 |
| InChIKey | WRGQSXNAJBDKQK-UHFFFAOYSA-N |
| Molecular Weight | 403.121 g/mol |
| SMILES | C1=CC(C2N(C3=CC(Cl)=C(C=C3)Cl)C(=O)CS2)=CC=C1Br |