| SpectraBase Compound ID | 865CFcBGBWQ |
|---|---|
| InChI | InChI=1S/C20H15Br2I/c21-12-14-4-8-16(9-5-14)18-2-1-3-19(20(18)23)17-10-6-15(13-22)7-11-17/h1-11H,12-13H2 |
| InChIKey | VBFMTBZZWQIRQX-UHFFFAOYSA-N |
| Mol Weight | 542.05 g/mol |
| Molecular Formula | C20H15Br2I |
| Exact Mass | 539.858521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FCPUBTnQKwc |
|---|---|
| Name | 2'-Iodo-4,4''bis(bromoimethyl)-1,1':3',1''-terphenyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 539.858521483 u |
| Formula | C20H15Br2I |
| InChI | InChI=1S/C20H15Br2I/c21-12-14-4-8-16(9-5-14)18-2-1-3-19(20(18)23)17-10-6-15(13-22)7-11-17/h1-11H,12-13H2 |
| InChIKey | VBFMTBZZWQIRQX-UHFFFAOYSA-N |
| Molecular Weight | 542.052 g/mol |
| SMILES | C1(=C(C=2C=CC(=CC2)CBr)C=CC=C1C1=CC=C(C=C1)CBr)I |