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

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Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexyl ester
SpectraBase Compound ID 8aEAPfR3ons
InChI InChI=1S/C18H19F7O4/c1-2-3-4-5-10-28-14(26)12-6-8-13(9-7-12)15(27)29-11-16(19,20)17(21,22)18(23,24)25/h6-9H,2-5,10-11H2,1H3
InChIKey OFSFVJSUESAENW-UHFFFAOYSA-N
Mol Weight 432.33 g/mol
Molecular Formula C18H19F7O4
Exact Mass 432.117156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BuZKERE0NZY
Name Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.117156229 u
Formula C18H19F7O4
InChI InChI=1S/C18H19F7O4/c1-2-3-4-5-10-28-14(26)12-6-8-13(9-7-12)15(27)29-11-16(19,20)17(21,22)18(23,24)25/h6-9H,2-5,10-11H2,1H3
InChIKey OFSFVJSUESAENW-UHFFFAOYSA-N
Molecular Weight 432.335 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCC)=O)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F