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Quinizarin, o-(heptafluorobutyryl)-

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Quinizarin, o-(heptafluorobutyryl)-
SpectraBase Compound ID EQZdo3Z7y38
InChI InChI=1S/C18H7F7O5/c19-16(20,17(21,22)18(23,24)25)15(29)30-10-6-5-9(26)11-12(10)14(28)8-4-2-1-3-7(8)13(11)27/h1-6,26H
InChIKey WCMFPPUBRSANTO-UHFFFAOYSA-N
Mol Weight 436.24 g/mol
Molecular Formula C18H7F7O5
Exact Mass 436.01817 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6oPNcyprWLn
Name Quinizarin, o-(heptafluorobutyryl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.018170461 u
Formula C18H7F7O5
InChI InChI=1S/C18H7F7O5/c19-16(20,17(21,22)18(23,24)25)15(29)30-10-6-5-9(26)11-12(10)14(28)8-4-2-1-3-7(8)13(11)27/h1-6,26H
InChIKey WCMFPPUBRSANTO-UHFFFAOYSA-N
Molecular Weight 436.238 g/mol
SMILES C1=CC=C2C(=C1)C(C=1C(C2=O)=C(C=CC1O)OC(C(C(F)(F)C(F)(F)F)(F)F)=O)=O