| SpectraBase Compound ID | Lh0IsIRPZCk |
|---|---|
| InChI | InChI=1S/C9H8BrIO2/c10-5-9(12)13-6-7-2-1-3-8(11)4-7/h1-4H,5-6H2 |
| InChIKey | DKJFLSBWJGEWCZ-UHFFFAOYSA-N |
| Mol Weight | 354.97 g/mol |
| Molecular Formula | C9H8BrIO2 |
| Exact Mass | 353.875237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CWFvXGaKy2H |
|---|---|
| Name | m-Iodobenzyl bromoacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.875237496 u |
| Formula | C9H8BrIO2 |
| InChI | InChI=1S/C9H8BrIO2/c10-5-9(12)13-6-7-2-1-3-8(11)4-7/h1-4H,5-6H2 |
| InChIKey | DKJFLSBWJGEWCZ-UHFFFAOYSA-N |
| Molecular Weight | 354.969 g/mol |
| SMILES | C(CBr)(=O)OCC=1C=C(C=CC1)I |