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

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Fumaric acid, nonadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 8Bqfp2IRUmU
InChI InChI=1S/C28H44F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-39-23(37)19-20-24(38)40-22-26(31,32)28(35,36)27(33,34)25(29)30/h19-20,25H,2-18,21-22H2,1H3/b20-19+
InChIKey QQVITBKEIHTHPR-FMQUCBEESA-N
Mol Weight 596.6 g/mol
Molecular Formula C28H44F8O4
Exact Mass 596.311185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BN3GxQmkgYW
Name Fumaric acid, nonadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 596.311185197 u
Formula C28H44F8O4
InChI InChI=1S/C28H44F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-39-23(37)19-20-24(38)40-22-26(31,32)28(35,36)27(33,34)25(29)30/h19-20,25H,2-18,21-22H2,1H3/b20-19+
InChIKey QQVITBKEIHTHPR-FMQUCBEESA-N
Molecular Weight 596.643 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCCCCCCCC)=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O