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[2-(3-TRIFLUOROMETHYLPHENYLAMINO)-1-CYClOPENTEN-1-YL]-[5-CHLORO-1-(4-METHOXYPHENYLMETHYL)-1-H-1,2,3-TRIAZOL-4-YL]-METHANONE

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[2-(3-TRIFLUOROMETHYLPHENYLAMINO)-1-CYClOPENTEN-1-YL]-[5-CHLORO-1-(4-METHOXYPHENYLMETHYL)-1-H-1,2,3-TRIAZOL-4-YL]-METHANONE
SpectraBase Compound ID JDmViMBauzy
InChI InChI=1S/C23H20ClF3N4O2/c1-33-17-10-8-14(9-11-17)13-31-22(24)20(29-30-31)21(32)18-6-3-7-19(18)28-16-5-2-4-15(12-16)23(25,26)27/h2,4-5,8-12,28H,3,6-7,13H2,1H3
InChIKey IYOHPZBLNUNHPI-UHFFFAOYSA-N
Mol Weight 476.89 g/mol
Molecular Formula C23H20ClF3N4O2
Exact Mass 476.122688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hsou7l6CIjA
Name [2-(3-TRIFLUOROMETHYLPHENYLAMINO)-1-CYClOPENTEN-1-YL]-[5-CHLORO-1-(4-METHOXYPHENYLMETHYL)-1-H-1,2,3-TRIAZOL-4-YL]-METHANONE
Compound Number 7.5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20ClF3N4O2
InChI InChI=1S/C23H20ClF3N4O2/c1-33-17-10-8-14(9-11-17)13-31-22(24)20(29-30-31)21(32)18-6-3-7-19(18)28-16-5-2-4-15(12-16)23(25,26)27/h2,4-5,8-12,28H,3,6-7,13H2,1H3
InChIKey IYOHPZBLNUNHPI-UHFFFAOYSA-N
Literature Reference Author T.M.CHAN,R.FRIARY,H.JONES,J.H.SCHWERDT,V.SEIDL,A.S.WATNICK,S .M.WILLIAMS
Literature Reference Citation J.HETCYCL.CHEM.,27,1135(1990)
Literature Reference DOI 10.1002/jhet.5570270462
Molecular Weight 476.886 g/mol
Solvent CDCl3
Source File Reference UWMZ1106