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Adipic acid, heptadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Adipic acid, heptadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID K51GL3LLQsg
InChI InChI=1S/C28H46F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-39-23(37)19-16-17-20-24(38)40-22-26(31,32)28(35,36)27(33,34)25(29)30/h25H,2-22H2,1H3
InChIKey ZAVITWUAPBXDAE-UHFFFAOYSA-N
Mol Weight 598.7 g/mol
Molecular Formula C28H46F8O4
Exact Mass 598.326835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9V2gY5O4uoR
Name Adipic acid, heptadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 598.326835261 u
Formula C28H46F8O4
InChI InChI=1S/C28H46F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-39-23(37)19-16-17-20-24(38)40-22-26(31,32)28(35,36)27(33,34)25(29)30/h25H,2-22H2,1H3
InChIKey ZAVITWUAPBXDAE-UHFFFAOYSA-N
Molecular Weight 598.659 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)CC(OCCCCCCCCCCCCCCCCC)=O