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

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Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl nonyl ester
SpectraBase Compound ID 7ytCYvpR1nR
InChI InChI=1S/C21H25F7O4/c1-2-3-4-5-6-7-10-13-31-17(29)15-11-8-9-12-16(15)18(30)32-14-19(22,23)20(24,25)21(26,27)28/h8-9,11-12H,2-7,10,13-14H2,1H3
InChIKey AKMOKMVKYVLVJA-UHFFFAOYSA-N
Mol Weight 474.42 g/mol
Molecular Formula C21H25F7O4
Exact Mass 474.164106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Rs9VSg7GMR
Name Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.164106422 u
Formula C21H25F7O4
InChI InChI=1S/C21H25F7O4/c1-2-3-4-5-6-7-10-13-31-17(29)15-11-8-9-12-16(15)18(30)32-14-19(22,23)20(24,25)21(26,27)28/h8-9,11-12H,2-7,10,13-14H2,1H3
InChIKey AKMOKMVKYVLVJA-UHFFFAOYSA-N
Molecular Weight 474.416 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCC)=O)C(OCC(C(C(F)(F)F)(F)F)(F)F)=O