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1-Bromo-4-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)benzene

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1-Bromo-4-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)benzene
SpectraBase Compound ID CEQr7UbxLj8
InChI InChI=1S/C16H12BrF13/c17-10-6-4-9(5-7-10)3-1-2-8-11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)30/h4-7H,1-3,8H2
InChIKey DNZGRDQLVAUYDX-UHFFFAOYSA-N
Mol Weight 531.16 g/mol
Molecular Formula C16H12BrF13
Exact Mass 529.99148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6LKGpmgJG5S
Name 1-Bromo-4-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 529.991479505 u
Formula C16H12BrF13
InChI InChI=1S/C16H12BrF13/c17-10-6-4-9(5-7-10)3-1-2-8-11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)30/h4-7H,1-3,8H2
InChIKey DNZGRDQLVAUYDX-UHFFFAOYSA-N
Molecular Weight 531.155 g/mol
SMILES C=1(C=CC(=CC1)CCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Br