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2,3-DIHYDRO-1,1-DIMETHYL-3-OXO-5-(TRIFLUOROMETHYL)-1H-PYRAZOLIUM-HYDROXIDE,INNER-SALT
SpectraBase Compound ID 7ADCKSBX6mA
InChI InChI=1S/C6H7F3N2O/c1-11(2)4(6(7,8)9)3-5(12)10-11/h3H,1-2H3
InChIKey SDGAGJRDJUNZQM-UHFFFAOYSA-N
Mol Weight 180.13 g/mol
Molecular Formula C6H7F3N2O
Exact Mass 180.051047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hix3a7od4Qq
Name 2,3-DIHYDRO-1,1-DIMETHYL-3-OXO-5-(TRIFLUOROMETHYL)-1H-PYRAZOLIUM-HYDROXIDE,INNER-SALT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H7F3N2O
InChI InChI=1S/C6H7F3N2O/c1-11(2)4(6(7,8)9)3-5(12)10-11/h3H,1-2H3
InChIKey SDGAGJRDJUNZQM-UHFFFAOYSA-N
Literature Reference Author B.C.HAMPER,M.L.KURTZWEIL,J.P.BECK
Literature Reference Citation J.ORG.CHEM.,57,5680(1992)
Literature Reference DOI 10.1021/jo00047a021
Molecular Weight 180.130 g/mol
Solvent CD3OD
Source File Reference UWCS3737