| SpectraBase Compound ID | I1jouyM3jO7 |
|---|---|
| InChI | InChI=1S/C12H4Br2ClNO2S/c13-5-4-6(14)10-8(9(5)15)12(17)18-11(16-10)7-2-1-3-19-7/h1-4H |
| InChIKey | FGJJEEQULVNZHY-UHFFFAOYSA-N |
| Mol Weight | 421.49 g/mol |
| Molecular Formula | C12H4Br2ClNO2S |
| Exact Mass | 418.801803 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F3FQIXNkFg7 |
|---|---|
| Name | 5-Chloro-6,8-dibromo-2-(2-thienyl)-4H-3,1-benzoxazin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.801803245 u |
| Formula | C12H4Br2ClNO2S |
| InChI | InChI=1S/C12H4Br2ClNO2S/c13-5-4-6(14)10-8(9(5)15)12(17)18-11(16-10)7-2-1-3-19-7/h1-4H |
| InChIKey | FGJJEEQULVNZHY-UHFFFAOYSA-N |
| Molecular Weight | 421.490 g/mol |
| SMILES | C=12C(=C(C=C(C1N=C(OC2=O)C1=CC=CS1)Br)Br)Cl |