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Fumaric acid, pentafluorobenzyl 3-methylbut-2-en-1-yl ester

View entire compound with spectra: 1 NMR

Fumaric acid, pentafluorobenzyl 3-methylbut-2-en-1-yl ester
SpectraBase Compound ID FBoqb7eywPf
InChI InChI=1S/C16H13F5O4/c1-8(2)5-6-24-10(22)3-4-11(23)25-7-9-12(17)14(19)16(21)15(20)13(9)18/h3-5H,6-7H2,1-2H3/b4-3+
InChIKey PNHTVLINRZLSPW-ONEGZZNKSA-N
Mol Weight 364.27 g/mol
Molecular Formula C16H13F5O4
Exact Mass 364.0734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3slhAnX5hyg
Name Fumaric acid, pentafluorobenzyl 3-methylbut-2-en-1-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 364.073399710 u
Formula C16H13F5O4
InChI InChI=1S/C16H13F5O4/c1-8(2)5-6-24-10(22)3-4-11(23)25-7-9-12(17)14(19)16(21)15(20)13(9)18/h3-5H,6-7H2,1-2H3/b4-3+
InChIKey PNHTVLINRZLSPW-ONEGZZNKSA-N
Molecular Weight 364.268 g/mol
SMILES C(\C=C\C(OCC=C(C)C)=O)(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O