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4-Benzoyl-1,3-phenylene bis(2,2,3,3,4,4,4-heptafluorobutanoate)

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4-Benzoyl-1,3-phenylene bis(2,2,3,3,4,4,4-heptafluorobutanoate)
SpectraBase Compound ID E1uBc77TdIR
InChI InChI=1S/C21H8F14O5/c22-16(23,18(26,27)20(30,31)32)14(37)39-10-6-7-11(13(36)9-4-2-1-3-5-9)12(8-10)40-15(38)17(24,25)19(28,29)21(33,34)35/h1-8H
InChIKey BUYBTEPEXLNDGZ-UHFFFAOYSA-N
Mol Weight 606.27 g/mol
Molecular Formula C21H8F14O5
Exact Mass 606.014818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlOuLLTDIvW
Name 4-Benzoyl-1,3-phenylene bis(2,2,3,3,4,4,4-heptafluorobutanoate)
Comments Computed using HOSE algorithm
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Exact Mass 606.014817635 u
Formula C21H8F14O5
InChI InChI=1S/C21H8F14O5/c22-16(23,18(26,27)20(30,31)32)14(37)39-10-6-7-11(13(36)9-4-2-1-3-5-9)12(8-10)40-15(38)17(24,25)19(28,29)21(33,34)35/h1-8H
InChIKey BUYBTEPEXLNDGZ-UHFFFAOYSA-N
Molecular Weight 606.268 g/mol
SMILES C(C1=C(C=C(C=C1)OC(C(C(F)(F)C(F)(F)F)(F)F)=O)OC(C(C(F)(F)C(F)(F)F)(F)F)=O)(C1=CC=CC=C1)=O