| SpectraBase Compound ID | 6Z78DsTeXUB |
|---|---|
| InChI | InChI=1S/C10H9BrINO/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-4,9H,5-6H2 |
| InChIKey | PPDAPCPSCBVZLJ-UHFFFAOYSA-N |
| Mol Weight | 366.0 g/mol |
| Molecular Formula | C10H9BrINO |
| Exact Mass | 364.891222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKgP7QMaYDS |
|---|---|
| Name | 3-(4-Bromophenyl)-5-iodomethylisoxazoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.891221913 u |
| Formula | C10H9BrINO |
| InChI | InChI=1S/C10H9BrINO/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-4,9H,5-6H2 |
| InChIKey | PPDAPCPSCBVZLJ-UHFFFAOYSA-N |
| Molecular Weight | 365.996 g/mol |
| SMILES | C1(=NOC(C1)CI)C=1C=CC(=CC1)Br |