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6-EXO-CHLORO-5-KETO-2,3-(TETRAFLUOROBENZO)BARRELENE
SpectraBase Compound ID BiAfjqYYk6N
InChI InChI=1S/C12H5ClF4O/c13-7-3-1-2-4(12(7)18)6-5(3)8(14)10(16)11(17)9(6)15/h1-4,7H/t3-,4+,7-/m1/s1
InChIKey QMUFNZIKRIWBPR-XZFOZZDRSA-N
Mol Weight 276.62 g/mol
Molecular Formula C12H5ClF4O
Exact Mass 275.996505 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXJ4hzjQ7WS
Name 6-EXO-CHLORO-5-KETO-2,3-(TETRAFLUOROBENZO)BARRELENE
Comments 6.5, 17.0 WERE ASSIGNED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H5ClF4O
InChI InChI=1S/C12H5ClF4O/c13-7-3-1-2-4(12(7)18)6-5(3)8(14)10(16)11(17)9(6)15/h1-4,7H/t3-,4+,7-/m1/s1
InChIKey QMUFNZIKRIWBPR-XZFOZZDRSA-N
Instrument Name Varian A56/60A
Literature Reference M.K.MIRONOVA, N.N.POVOLOTSKAYA, V.A.BARKHASH (1976) Izv.Akad.Nauk SSSR(Russ.Lang.): N3, 679-681.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported