| SpectraBase Compound ID | F3B5vkVl3VK |
|---|---|
| InChI | InChI=1S/C18H3BrF10/c19-6-2-4(7-9(20)13(24)17(28)14(25)10(7)21)1-5(3-6)8-11(22)15(26)18(29)16(27)12(8)23/h1-3H |
| InChIKey | UMCRMPYLEJTURI-UHFFFAOYSA-N |
| Mol Weight | 489.11 g/mol |
| Molecular Formula | C18H3BrF10 |
| Exact Mass | 487.925845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2pJ5n4uAFRV |
|---|---|
| Name | 1,1':3',1''-Terphenyl, 5'-bromo-2,2'',3,3'',4,4'',5,5'',6,6''-decafluoro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 487.925844727 u |
| Formula | C18H3BrF10 |
| InChI | InChI=1S/C18H3BrF10/c19-6-2-4(7-9(20)13(24)17(28)14(25)10(7)21)1-5(3-6)8-11(22)15(26)18(29)16(27)12(8)23/h1-3H |
| InChIKey | UMCRMPYLEJTURI-UHFFFAOYSA-N |
| Molecular Weight | 489.110 g/mol |
| SMILES | C1=C(C=C(C=C1Br)C1=C(C(=C(C(=C1F)F)F)F)F)C1=C(C(=C(C(=C1F)F)F)F)F |