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

View entire compound with spectra: 1 NMR

Fumaric acid, pentafluorobenzyl 3-methylbut-2-yl ester
SpectraBase Compound ID 3c3qHiA7p5z
InChI InChI=1S/C16H15F5O4/c1-7(2)8(3)25-11(23)5-4-10(22)24-6-9-12(17)14(19)16(21)15(20)13(9)18/h4-5,7-8H,6H2,1-3H3/b5-4+
InChIKey JNSRMZNTUSLMNI-SNAWJCMRSA-N
Mol Weight 366.28 g/mol
Molecular Formula C16H15F5O4
Exact Mass 366.08905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KjChte2f3wy
Name Fumaric acid, pentafluorobenzyl 3-methylbut-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 366.089049774 u
Formula C16H15F5O4
InChI InChI=1S/C16H15F5O4/c1-7(2)8(3)25-11(23)5-4-10(22)24-6-9-12(17)14(19)16(21)15(20)13(9)18/h4-5,7-8H,6H2,1-3H3/b5-4+
InChIKey JNSRMZNTUSLMNI-SNAWJCMRSA-N
Molecular Weight 366.284 g/mol
SMILES C(\C=C\C(OC(C(C)C)C)=O)(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O