| SpectraBase Compound ID | C0nGVCl0KjL |
|---|---|
| InChI | InChI=1S/C20H17Br/c1-14-6-3-8-16(12-14)18-10-5-11-19(20(18)21)17-9-4-7-15(2)13-17/h3-13H,1-2H3 |
| InChIKey | JFGFYZCDCMTWBJ-UHFFFAOYSA-N |
| Mol Weight | 337.26 g/mol |
| Molecular Formula | C20H17Br |
| Exact Mass | 336.051364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4uh9dcp4rB9 |
|---|---|
| Name | 2'-Bromo-3,3''-dimethyl-1,1':3',1''-terphenyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.051363547 u |
| Formula | C20H17Br |
| InChI | InChI=1S/C20H17Br/c1-14-6-3-8-16(12-14)18-10-5-11-19(20(18)21)17-9-4-7-15(2)13-17/h3-13H,1-2H3 |
| InChIKey | JFGFYZCDCMTWBJ-UHFFFAOYSA-N |
| Molecular Weight | 337.260 g/mol |
| SMILES | C=1(C(C=2C=C(C)C=CC2)=CC=CC1C=1C=C(C)C=CC1)Br |