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Fumaric acid, butyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Fumaric acid, butyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 3jB6uzhZMcE
InChI InChI=1S/C13H14F8O4/c1-2-3-6-24-8(22)4-5-9(23)25-7-11(16,17)13(20,21)12(18,19)10(14)15/h4-5,10H,2-3,6-7H2,1H3/b5-4+
InChIKey KVOBWNUTDXYASP-SNAWJCMRSA-N
Mol Weight 386.24 g/mol
Molecular Formula C13H14F8O4
Exact Mass 386.076434 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4GbpPyX78KT
Name Fumaric acid, butyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.076434231 u
Formula C13H14F8O4
InChI InChI=1S/C13H14F8O4/c1-2-3-6-24-8(22)4-5-9(23)25-7-11(16,17)13(20,21)12(18,19)10(14)15/h4-5,10H,2-3,6-7H2,1H3/b5-4+
InChIKey KVOBWNUTDXYASP-SNAWJCMRSA-N
Molecular Weight 386.238 g/mol
SMILES C(\C=C\C(OCCCC)=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O