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(3Z,7E)-2-METHYL-5-(TRIFLUOROMETHYL)-6-ACETATE-8-PHENYL-3,7-OCTADIENE
SpectraBase Compound ID GqtJ4NafJkz
InChI InChI=1S/C18H21F3O2/c1-13(2)9-11-16(18(19,20)21)17(23-14(3)22)12-10-15-7-5-4-6-8-15/h4-13,16-17H,1-3H3/b11-9-,12-10+/t16-,17-/m0/s1
InChIKey PEJAHSGJJGYZTB-WXFIODOHSA-N
Mol Weight 326.36 g/mol
Molecular Formula C18H21F3O2
Exact Mass 326.149364 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kchu6i6Tl8x
Name (3Z,7E)-2-METHYL-5-(TRIFLUOROMETHYL)-6-ACETATE-8-PHENYL-3,7-OCTADIENE
Compound Number 3D-ACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21F3O2
InChI InChI=1S/C18H21F3O2/c1-13(2)9-11-16(18(19,20)21)17(23-14(3)22)12-10-15-7-5-4-6-8-15/h4-13,16-17H,1-3H3/b11-9-,12-10+/t16-,17-/m0/s1
InChIKey PEJAHSGJJGYZTB-WXFIODOHSA-N
Literature Reference Author T.SAKAMOTO,K.TAKAHASHI,T.YAMAZAKI,T.KITAZUME
Literature Reference Citation J.ORG.CHEM.,64,9467(1999)
Literature Reference DOI 10.1021/jo991086l
Solvent CDCl3
Source File Reference UWLU60070