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N-[2-(3-CHLOROPHENETHYL)]-N'-[2-(3-FLUOROPHENETHYL)]-THIOUREA
SpectraBase Compound ID GIVAGQf9Fzm
InChI InChI=1S/C17H18ClFN2S/c18-15-5-1-3-13(11-15)7-9-20-17(22)21-10-8-14-4-2-6-16(19)12-14/h1-6,11-12H,7-10H2,(H2,20,21,22)
InChIKey LYNXVJSJDUQWRK-UHFFFAOYSA-N
Mol Weight 336.86 g/mol
Molecular Formula C17H18ClFN2S
Exact Mass 336.086326 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1q2FagefZMc
Name N-[2-(3-CHLOROPHENETHYL)]-N'-[2-(3-FLUOROPHENETHYL)]-THIOUREA
Compound Number 85
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18ClFN2S
InChI InChI=1S/C17H18ClFN2S/c18-15-5-1-3-13(11-15)7-9-20-17(22)21-10-8-14-4-2-6-16(19)12-14/h1-6,11-12H,7-10H2,(H2,20,21,22)
InChIKey LYNXVJSJDUQWRK-UHFFFAOYSA-N
Literature Reference Author T.K.VENKATACHALAM,S.QAZI,P.SAMUEL,F.M.UCKUN
Literature Reference Citation BIOORG.MED.CHEM.,11,1095(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00531-X
Solvent CDCl3
Source File Reference UWLU38609