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2-TRIFLUOROMETHYL-4,4'-DINITRODIPHENYLETHER
SpectraBase Compound ID 7WpNqiDLI4E
InChI InChI=1S/C13H7F3N2O5/c14-13(15,16)11-7-9(18(21)22)3-6-12(11)23-10-4-1-8(2-5-10)17(19)20/h1-7H
InChIKey HJMHYOFMRNVBQR-UHFFFAOYSA-N
Mol Weight 328.2 g/mol
Molecular Formula C13H7F3N2O5
Exact Mass 328.030706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Lc6TpEcfFQ
Name 2-TRIFLUOROMETHYL-4,4'-DINITRODIPHENYLETHER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H7F3N2O5
InChI InChI=1S/C13H7F3N2O5/c14-13(15,16)11-7-9(18(21)22)3-6-12(11)23-10-4-1-8(2-5-10)17(19)20/h1-7H
InChIKey HJMHYOFMRNVBQR-UHFFFAOYSA-N
Literature Reference Author C.P.YANG,R.S.CHEN,K.H.CHEN,Y.P.CHEN
Literature Reference Citation J.CHIN.CHEM.SOC.,49,927(2002)
Literature Reference DOI 10.1002/jccs.200200131
Molecular Weight 328.204 g/mol
Solvent DMSO-D6
Source File Reference UWMS3464