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4-Acetyl-2,6-dimethoxyphenyl 2,2,3,3,4,4,4-heptafluorobutanoate

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4-Acetyl-2,6-dimethoxyphenyl 2,2,3,3,4,4,4-heptafluorobutanoate
SpectraBase Compound ID 369fRq6Gdpi
InChI InChI=1S/C14H11F7O5/c1-6(22)7-4-8(24-2)10(9(5-7)25-3)26-11(23)12(15,16)13(17,18)14(19,20)21/h4-5H,1-3H3
InChIKey WMIQPNFGBBYPHJ-UHFFFAOYSA-N
Mol Weight 392.23 g/mol
Molecular Formula C14H11F7O5
Exact Mass 392.049471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6wwp77r4uUY
Name 4-Acetyl-2,6-dimethoxyphenyl 2,2,3,3,4,4,4-heptafluorobutanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.049470590 u
Formula C14H11F7O5
InChI InChI=1S/C14H11F7O5/c1-6(22)7-4-8(24-2)10(9(5-7)25-3)26-11(23)12(15,16)13(17,18)14(19,20)21/h4-5H,1-3H3
InChIKey WMIQPNFGBBYPHJ-UHFFFAOYSA-N
Molecular Weight 392.226 g/mol
SMILES COC1=C(OC(C(C(F)(F)C(F)(F)F)(F)F)=O)C(OC)=CC(=C1)C(C)=O