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

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Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester
SpectraBase Compound ID L3GPrvDFt5A
InChI InChI=1S/C28H39F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-38-24(36)22-16-18-23(19-17-22)25(37)39-21-26(29,30)27(31,32)28(33,34)35/h16-19H,2-15,20-21H2,1H3
InChIKey WSCWVIYPVCHHRX-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 Jf6JzUKNYnp
Name Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 572.273656873 u
Formula C28H39F7O4
InChI InChI=1S/C28H39F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-38-24(36)22-16-18-23(19-17-22)25(37)39-21-26(29,30)27(31,32)28(33,34)35/h16-19H,2-15,20-21H2,1H3
InChIKey WSCWVIYPVCHHRX-UHFFFAOYSA-N
Molecular Weight 572.605 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCCCCCCC)=O)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F