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Fumaric acid, pentafluorobenzyl dodec-2-en-1-yl ester

View entire compound with spectra: 1 NMR

Fumaric acid, pentafluorobenzyl dodec-2-en-1-yl ester
SpectraBase Compound ID BnfJmfM56nN
InChI InChI=1S/C23H27F5O4/c1-2-3-4-5-6-7-8-9-10-11-14-31-17(29)12-13-18(30)32-15-16-19(24)21(26)23(28)22(27)20(16)25/h10-13H,2-9,14-15H2,1H3/b11-10+,13-12+
InChIKey ZPQWPEBUOYMGNJ-AQASXUMVSA-N
Mol Weight 462.46 g/mol
Molecular Formula C23H27F5O4
Exact Mass 462.18295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6xrSdB2WmWU
Name Fumaric acid, pentafluorobenzyl dodec-2-en-1-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 462.182950160 u
Formula C23H27F5O4
InChI InChI=1S/C23H27F5O4/c1-2-3-4-5-6-7-8-9-10-11-14-31-17(29)12-13-18(30)32-15-16-19(24)21(26)23(28)22(27)20(16)25/h10-13H,2-9,14-15H2,1H3/b11-10+,13-12+
InChIKey ZPQWPEBUOYMGNJ-AQASXUMVSA-N
Molecular Weight 462.457 g/mol
SMILES C(\C=C\C(OC\C=C\CCCCCCCCC)=O)(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O