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1,4-bis[para-(2,4-Dichlorophenoxy)tetrafluorophenyl]butadiyne

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1,4-bis[para-(2,4-Dichlorophenoxy)tetrafluorophenyl]butadiyne
SpectraBase Compound ID 1dYWWj2XJdK
InChI InChI=1S/C28H6Cl4F8O2/c29-11-5-7-17(15(31)9-11)41-27-23(37)19(33)13(20(34)24(27)38)3-1-2-4-14-21(35)25(39)28(26(40)22(14)36)42-18-8-6-12(30)10-16(18)32/h5-10H
InChIKey VWARKOBLJUOOIN-UHFFFAOYSA-N
Mol Weight 668.2 g/mol
Molecular Formula C28H6Cl4F8O2
Exact Mass 665.899416 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQHk9Fgsk9d
Name 1,4-bis[para-(2,4-Dichlorophenoxy)tetrafluorophenyl]butadiyne
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 665.899415535 u
Formula C28H6Cl4F8O2
InChI InChI=1S/C28H6Cl4F8O2/c29-11-5-7-17(15(31)9-11)41-27-23(37)19(33)13(20(34)24(27)38)3-1-2-4-14-21(35)25(39)28(26(40)22(14)36)42-18-8-6-12(30)10-16(18)32/h5-10H
InChIKey VWARKOBLJUOOIN-UHFFFAOYSA-N
Molecular Weight 668.153 g/mol
SMILES c1(c(c(F)c(c(c1F)F)C#CC#Cc1c(F)c(F)c(c(c1F)F)Oc1c(cc(cc1)Cl)Cl)F)Oc1ccc(cc1Cl)Cl