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Perfluorooctanoic acid, 4-methylphenyl ester

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Perfluorooctanoic acid, 4-methylphenyl ester
SpectraBase Compound ID 63YSNqmd6bb
InChI InChI=1S/C15H7F15O2/c1-6-2-4-7(5-3-6)32-8(31)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h2-5H,1H3
InChIKey QRFFVDHHZBINCO-UHFFFAOYSA-N
Mol Weight 504.2 g/mol
Molecular Formula C15H7F15O2
Exact Mass 504.020652 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H1CATU4GlYK
Name Perfluorooctanoic acid, 4-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.020651908 u
Formula C15H7F15O2
InChI InChI=1S/C15H7F15O2/c1-6-2-4-7(5-3-6)32-8(31)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h2-5H,1H3
InChIKey QRFFVDHHZBINCO-UHFFFAOYSA-N
Molecular Weight 504.195 g/mol
SMILES C(F)(F)(C(F)(C(F)(F)C(C(C(C(F)(F)C(=O)OC1=CC=C(C=C1)C)(F)F)(F)F)(F)F)F)F