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1,1'-Ethyne-1,2-diylbis[4-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)benzene]
SpectraBase Compound ID CQ10ovttmCh
InChI InChI=1S/C34H24F26/c35-23(36,25(39,40)27(43,44)29(47,48)31(51,52)33(55,56)57)17-3-1-5-19-7-11-21(12-8-19)15-16-22-13-9-20(10-14-22)6-2-4-18-24(37,38)26(41,42)28(45,46)30(49,50)32(53,54)34(58,59)60/h7-14H,1-6,17-18H2
InChIKey YLKGYSKWNFWXFA-UHFFFAOYSA-N
Mol Weight 926.5 g/mol
Molecular Formula C34H24F26
Exact Mass 926.146283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JQDWOfJVeS
Name 1,1'-Ethyne-1,2-diylbis[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 926.146283011 u
Formula C34H24F26
InChI InChI=1S/C34H24F26/c35-23(36,25(39,40)27(43,44)29(47,48)31(51,52)33(55,56)57)17-3-1-5-19-7-11-21(12-8-19)15-16-22-13-9-20(10-14-22)6-2-4-18-24(37,38)26(41,42)28(45,46)30(49,50)32(53,54)34(58,59)60/h7-14H,1-6,17-18H2
InChIKey YLKGYSKWNFWXFA-UHFFFAOYSA-N
Molecular Weight 926.524 g/mol
SMILES C(#CC=1C=CC(=CC1)CCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C=1C=CC(=CC1)CCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F