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Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentadecyl ester

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Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentadecyl ester
SpectraBase Compound ID 1z7CEiSYUJT
InChI InChI=1S/C27H37F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-37-23(35)21-17-14-15-18-22(21)24(36)38-20-25(28,29)26(30,31)27(32,33)34/h14-15,17-18H,2-13,16,19-20H2,1H3
InChIKey FVDGXPSBOPXQJF-UHFFFAOYSA-N
Mol Weight 558.6 g/mol
Molecular Formula C27H37F7O4
Exact Mass 558.258007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jc0rxJUm5Wn
Name Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 558.258006808 u
Formula C27H37F7O4
InChI InChI=1S/C27H37F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-37-23(35)21-17-14-15-18-22(21)24(36)38-20-25(28,29)26(30,31)27(32,33)34/h14-15,17-18H,2-13,16,19-20H2,1H3
InChIKey FVDGXPSBOPXQJF-UHFFFAOYSA-N
Molecular Weight 558.578 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCCCCCC)=O)C(OCC(C(C(F)(F)F)(F)F)(F)F)=O