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9,9-bis(trifluoromethyl)xanthene-2,3,6,7-tetracarboxylic acid

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9,9-bis(trifluoromethyl)xanthene-2,3,6,7-tetracarboxylic acid
SpectraBase Compound ID FefBQMtOyIW
InChI InChI=1S/C19H8F6O9/c20-18(21,22)17(19(23,24)25)9-1-5(13(26)27)7(15(30)31)3-11(9)34-12-4-8(16(32)33)6(14(28)29)2-10(12)17/h1-4H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)
InChIKey RHLWTWUMSPIQMC-UHFFFAOYSA-N
Mol Weight 494.25 g/mol
Molecular Formula C19H8F6O9
Exact Mass 494.007251 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2UNBYcN47e
Name 9,9-bis(trifluoromethyl)xanthene-2,3,6,7-tetracarboxylic acid
Compound Number 299
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H8F6O9
InChI InChI=1S/C19H8F6O9/c20-18(21,22)17(19(23,24)25)9-1-5(13(26)27)7(15(30)31)3-11(9)34-12-4-8(16(32)33)6(14(28)29)2-10(12)17/h1-4H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)
InChIKey RHLWTWUMSPIQMC-UHFFFAOYSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Molecular Weight 494.258 g/mol
Sample ID 409
Solvent DMSO-D6