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N-[5-OXO-5-THIOPHEN-2-YL-2-(4-TRIFLUOROMETHYLPHENYL)-PENTYL]-ACETAMIDE
SpectraBase Compound ID KN7Ee8NLLLO
InChI InChI=1S/C18H18F3NO2S/c1-12(23)22-11-14(6-9-16(24)17-3-2-10-25-17)13-4-7-15(8-5-13)18(19,20)21/h2-5,7-8,10,14H,6,9,11H2,1H3,(H,22,23)
InChIKey ZPSKEKBDOANVOX-UHFFFAOYSA-N
Mol Weight 369.4 g/mol
Molecular Formula C18H18F3NO2S
Exact Mass 369.101034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BnVr9zBAM8C
Name N-[5-OXO-5-THIOPHEN-2-YL-2-(4-TRIFLUOROMETHYLPHENYL)-PENTYL]-ACETAMIDE
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18F3NO2S
InChI InChI=1S/C18H18F3NO2S/c1-12(23)22-11-14(6-9-16(24)17-3-2-10-25-17)13-4-7-15(8-5-13)18(19,20)21/h2-5,7-8,10,14H,6,9,11H2,1H3,(H,22,23)
InChIKey ZPSKEKBDOANVOX-UHFFFAOYSA-N
Literature Reference Author A.GHEORGHE,B.QUICLET-SIRE,X.VILA,S.Z.ZARD
Literature Reference Citation ORG.LETTERS,7,1653(2005)
Literature Reference DOI 10.1021/ol0503642
Molecular Weight 369.402 g/mol
Sample ID 62169
Solvent CDCl3