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

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Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester
SpectraBase Compound ID K03ut0xVdKl
InChI InChI=1S/C28H39F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-38-24(36)22-18-15-16-19-23(22)25(37)39-21-26(29,30)27(31,32)28(33,34)35/h15-16,18-19H,2-14,17,20-21H2,1H3
InChIKey MEONQDGGYXGHAF-UHFFFAOYSA-N
Mol Weight 572.6 g/mol
Molecular Formula C28H39F7O4
Exact Mass 572.273657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GfrqseMJDgl
Name Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 572.273656873 u
Formula C28H39F7O4
InChI InChI=1S/C28H39F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-38-24(36)22-18-15-16-19-23(22)25(37)39-21-26(29,30)27(31,32)28(33,34)35/h15-16,18-19H,2-14,17,20-21H2,1H3
InChIKey MEONQDGGYXGHAF-UHFFFAOYSA-N
Molecular Weight 572.605 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCCCCCCC)=O)C(OCC(C(C(F)(F)F)(F)F)(F)F)=O