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4-Butylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

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4-Butylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID xyitVUIU9G
InChI InChI=1S/C16H16F8O2/c1-2-3-4-10-5-7-11(8-6-10)12(25)26-9-14(19,20)16(23,24)15(21,22)13(17)18/h5-8,13H,2-4,9H2,1H3
InChIKey LYIBRZAOIWKJFF-UHFFFAOYSA-N
Mol Weight 392.29 g/mol
Molecular Formula C16H16F8O2
Exact Mass 392.102255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID uizYvlHqc7
Name 4-Butylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.102255057 u
Formula C16H16F8O2
InChI InChI=1S/C16H16F8O2/c1-2-3-4-10-5-7-11(8-6-10)12(25)26-9-14(19,20)16(23,24)15(21,22)13(17)18/h5-8,13H,2-4,9H2,1H3
InChIKey LYIBRZAOIWKJFF-UHFFFAOYSA-N
Molecular Weight 392.289 g/mol
SMILES C1=C(C=CC(=C1)C(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)CCCC