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4-CHLORO-5,5,5-TRIFLUORO-3-METHYL-1-PHENYL-1,3-PENTADIENE;(E,Z)-ISOMER

View entire compound with spectra: 1 NMR

4-CHLORO-5,5,5-TRIFLUORO-3-METHYL-1-PHENYL-1,3-PENTADIENE;(E,Z)-ISOMER
SpectraBase Compound ID F50q3bBXqBV
InChI InChI=1S/C12H10ClF3/c1-9(11(13)12(14,15)16)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+,11-9+
InChIKey IMCKFUGMGYNKBB-MFDVASPDSA-N
Mol Weight 246.66 g/mol
Molecular Formula C12H10ClF3
Exact Mass 246.042313 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InvjprKLh1
Name 4-CHLORO-5,5,5-TRIFLUORO-3-METHYL-1-PHENYL-1,3-PENTADIENE;(E,Z)-ISOMER
Compound Number 10
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10ClF3
InChI InChI=1S/C12H10ClF3/c1-9(11(13)12(14,15)16)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+,11-9+
InChIKey IMCKFUGMGYNKBB-MFDVASPDSA-N
Literature Reference Author T.TAKAGI,J.TAKAHASHI,H.NAKATSUKA,M.KOYAMA,A.ANDO,I.KUMADAKI
Literature Reference Citation CHEM.PHARM.BULL.,44,280(1996)
Literature Reference DOI 10.1248/cpb.44.280
Solvent CDCl3
Source File Reference UWLU31608