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3-(1-(4-Chlorophenyl)-3-oxobutyl)-2-oxo-2H-chromen-4-yl 2,2,3,3,4,4,4-heptafluorobutanoate

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3-(1-(4-Chlorophenyl)-3-oxobutyl)-2-oxo-2H-chromen-4-yl 2,2,3,3,4,4,4-heptafluorobutanoate
SpectraBase Compound ID EuAkZLoZbNO
InChI InChI=1S/C23H14ClF7O5/c1-11(32)10-15(12-6-8-13(24)9-7-12)17-18(14-4-2-3-5-16(14)35-19(17)33)36-20(34)21(25,26)22(27,28)23(29,30)31/h2-9,15H,10H2,1H3
InChIKey DPRGQVPYGHXFPU-UHFFFAOYSA-N
Mol Weight 538.8 g/mol
Molecular Formula C23H14ClF7O5
Exact Mass 538.041798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BXBcicYSDKr
Name 3-(1-(4-Chlorophenyl)-3-oxobutyl)-2-oxo-2H-chromen-4-yl 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 538.041798387 u
Formula C23H14ClF7O5
InChI InChI=1S/C23H14ClF7O5/c1-11(32)10-15(12-6-8-13(24)9-7-12)17-18(14-4-2-3-5-16(14)35-19(17)33)36-20(34)21(25,26)22(27,28)23(29,30)31/h2-9,15H,10H2,1H3
InChIKey DPRGQVPYGHXFPU-UHFFFAOYSA-N
Molecular Weight 538.802 g/mol
SMILES C(CC(C)=O)(C1=C(OC(=O)C(C(F)(F)C(F)(F)F)(F)F)C2=C(OC1=O)C=CC=C2)C1=CC=C(C=C1)Cl