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Benzoic acid, 2,4,6-trimethyl-, 2,2,3,3,4,4,5,5-octafluoropentyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Benzoic acid, 2,4,6-trimethyl-, 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID Do6S1P6ailh
InChI InChI=1S/C15H14F8O2/c1-7-4-8(2)10(9(3)5-7)11(24)25-6-13(18,19)15(22,23)14(20,21)12(16)17/h4-5,12H,6H2,1-3H3
InChIKey MJYFIZPSRNIRQG-UHFFFAOYSA-N
Mol Weight 378.26 g/mol
Molecular Formula C15H14F8O2
Exact Mass 378.086605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Y6LHlACzgQ
Name Benzoic acid, 2,4,6-trimethyl-, 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 378.086604993 u
Formula C15H14F8O2
InChI InChI=1S/C15H14F8O2/c1-7-4-8(2)10(9(3)5-7)11(24)25-6-13(18,19)15(22,23)14(20,21)12(16)17/h4-5,12H,6H2,1-3H3
InChIKey MJYFIZPSRNIRQG-UHFFFAOYSA-N
Molecular Weight 378.262 g/mol
SMILES C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(=O)C1=C(C)C=C(C=C1C)C