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2-[(4-METHYLPHENOXY)-METHYL]-N-(2,3,4-TRIFLUOROPHENYLCARBAMOTHIOYL)-BENZAMIDE

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2-[(4-METHYLPHENOXY)-METHYL]-N-(2,3,4-TRIFLUOROPHENYLCARBAMOTHIOYL)-BENZAMIDE
SpectraBase Compound ID 84Dl9iITzM5
InChI InChI=1S/C22H17F3N2O2S/c1-13-6-8-15(9-7-13)29-12-14-4-2-3-5-16(14)21(28)27-22(30)26-18-11-10-17(23)19(24)20(18)25/h2-11H,12H2,1H3,(H2,26,27,28,30)
InChIKey NVANGHTUEFEHCU-UHFFFAOYSA-N
Mol Weight 430.45 g/mol
Molecular Formula C22H17F3N2O2S
Exact Mass 430.096283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 510biBgmWrE
Name 2-[(4-METHYLPHENOXY)-METHYL]-N-(2,3,4-TRIFLUOROPHENYLCARBAMOTHIOYL)-BENZAMIDE
Compound Number 1K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17F3N2O2S
InChI InChI=1S/C22H17F3N2O2S/c1-13-6-8-15(9-7-13)29-12-14-4-2-3-5-16(14)21(28)27-22(30)26-18-11-10-17(23)19(24)20(18)25/h2-11H,12H2,1H3,(H2,26,27,28,30)
InChIKey NVANGHTUEFEHCU-UHFFFAOYSA-N
Literature Reference Author C.LIMBAN,L.MARUTESCU,M.C.CHIFIRIUC
Literature Reference Citation MOLECULES,16,7593(2011)
Literature Reference DOI 10.3390/molecules16097593
Molecular Weight 430.444 g/mol
Sample ID 144
Solvent DMSO-D6