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1-Hydroxy-3-methylanthraquinone, pentafluoropropionate

View entire compound with spectra: 1 NMR

1-Hydroxy-3-methylanthraquinone, pentafluoropropionate
SpectraBase Compound ID 2Ylr9ESWbf2
InChI InChI=1S/C18H9F5O4/c1-8-6-11-13(15(25)10-5-3-2-4-9(10)14(11)24)12(7-8)27-16(26)17(19,20)18(21,22)23/h2-7H,1H3
InChIKey KIBJIJAAYSYYDR-UHFFFAOYSA-N
Mol Weight 384.26 g/mol
Molecular Formula C18H9F5O4
Exact Mass 384.0421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DNtzBP2bHIE
Name 1-Hydroxy-3-methylanthraquinone, pentafluoropropionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.042099581 u
Formula C18H9F5O4
InChI InChI=1S/C18H9F5O4/c1-8-6-11-13(15(25)10-5-3-2-4-9(10)14(11)24)12(7-8)27-16(26)17(19,20)18(21,22)23/h2-7H,1H3
InChIKey KIBJIJAAYSYYDR-UHFFFAOYSA-N
Molecular Weight 384.258 g/mol
SMILES C1(OC(C(C(F)(F)F)(F)F)=O)=C2C(=CC(=C1)C)C(=O)C=1C(C2=O)=CC=CC1