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4'-(Heptafluorobutyryl)oxychalcone

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4'-(Heptafluorobutyryl)oxychalcone
SpectraBase Compound ID 6dHhvcenCHv
InChI InChI=1S/C19H11F7O3/c20-17(21,18(22,23)19(24,25)26)16(28)29-14-9-7-13(8-10-14)15(27)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+
InChIKey NHHDAKFTOQLQQR-IZZDOVSWSA-N
Mol Weight 420.28 g/mol
Molecular Formula C19H11F7O3
Exact Mass 420.059641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Knnmx0TjTW
Name 4'-(Heptafluorobutyryl)oxychalcone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.059641352 u
Formula C19H11F7O3
InChI InChI=1S/C19H11F7O3/c20-17(21,18(22,23)19(24,25)26)16(28)29-14-9-7-13(8-10-14)15(27)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+
InChIKey NHHDAKFTOQLQQR-IZZDOVSWSA-N
Molecular Weight 420.283 g/mol
SMILES C1(=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(\C=C\C=1C=CC=CC1)=O