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

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Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentadecyl ester
SpectraBase Compound ID 3Nn9mXRcRvK
InChI InChI=1S/C27H37F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-37-23(35)21-15-17-22(18-16-21)24(36)38-20-25(28,29)26(30,31)27(32,33)34/h15-18H,2-14,19-20H2,1H3
InChIKey HJAAYHPHSZGRFC-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 K0Pi0Q4RW65
Name Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.258006808 u
Formula C27H37F7O4
InChI InChI=1S/C27H37F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-37-23(35)21-15-17-22(18-16-21)24(36)38-20-25(28,29)26(30,31)27(32,33)34/h15-18H,2-14,19-20H2,1H3
InChIKey HJAAYHPHSZGRFC-UHFFFAOYSA-N
Molecular Weight 558.578 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCCCCCC)=O)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F