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4-Fluoro-4'-hydroxybenzophenone, heptafluorobutyrate

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4-Fluoro-4'-hydroxybenzophenone, heptafluorobutyrate
SpectraBase Compound ID 8M6jbAhkveT
InChI InChI=1S/C17H8F8O3/c18-11-5-1-9(2-6-11)13(26)10-3-7-12(8-4-10)28-14(27)15(19,20)16(21,22)17(23,24)25/h1-8H
InChIKey SXHAYJUQWHFCJC-UHFFFAOYSA-N
Mol Weight 412.24 g/mol
Molecular Formula C17H8F8O3
Exact Mass 412.034569 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EKX4P4hmADj
Name 4-Fluoro-4'-hydroxybenzophenone, heptafluorobutyrate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.034569419 u
Formula C17H8F8O3
InChI InChI=1S/C17H8F8O3/c18-11-5-1-9(2-6-11)13(26)10-3-7-12(8-4-10)28-14(27)15(19,20)16(21,22)17(23,24)25/h1-8H
InChIKey SXHAYJUQWHFCJC-UHFFFAOYSA-N
Molecular Weight 412.235 g/mol
SMILES C1(F)=CC=C(C=C1)C(=O)C1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F